Chemical Properties of 2H-Pyrido[2,1-b]quinazolin-6-one, 1,3,4,6,7,8,9,10-octahydro-7-methyl

2H-Pyrido[2,1-b]quinazolin-6-one, 1,3,4,6,7,8,9,10-octahydro-7-methyl

InChI
InChI=1S/C12H17N3O/c1-8-4-2-5-9-10(8)11(16)15-7-3-6-13-12(15)14-9/h8H,2-7H2,1H3,(H,13,14)
InChI Key
AMRLIJFYFVVOOV-UHFFFAOYSA-N
Formula
C12H17N3O
SMILES
CC1CCCc2nc3n(c(=O)c21)CCCN3
Molecular Weight1
219.28
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Physical Properties

Property Value Unit Source
ω 0.6220 Relay (1.0) Calculated Property
ΔfG° 225.42 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -147.90 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 102.16 kJ/mol Relay (1.0) Calculated Property
IE 7.82 eV Relay (1.0) Calculated Property
log10WS -2.82 Relay (1.0) Calculated Property
logPoct/wat 1.499 Crippen Calculated Property
McVol 170.270 ml/mol McGowan Calculated Property
Pc 2871.21 kPa Relay (1.0-beta) Calculated Property
Inp 2045.00 NIST
Tboil 639.07 K Relay (1.0) Calculated Property
Tc 920.07 K Relay (1.0) Calculated Property
Tfus 477.25 K Relay (1.0) Calculated Property
Vc 0.634 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. risperidone. Retroisosensine. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Retroisosenine. Methysergide. Heptafluorobutyryl-codeine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to 2H-Pyrido[2,1-b]quinazolin-6-one, 1,3,4,6,7,8,9,10-octahydro-7-methyl.

Sources

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