7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one

C25H24N2O — CID 118291702

IUPAC7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one
SMILESCC1C(=O)CCC2(c3ccccc3)c3nc(-c4ccccc4)ncc3CCC12
InChIInChI=1S/C25H24N2O/c1-17-21-13-12-19-16-26-24(18-8-4-2-5-9-18)27-23(19)25(21,15-14-22(17)28)20-10-6-3-7-11-20/h2-11,16-17,21H,12-15H2,1H3
InChIKeyGUNNXGXHAHOZDN-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.99
Rot. Bonds2

About 7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one

7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one (PubChem CID 118291702) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one.

Molecular Properties

Compound Name7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one
PubChem CID118291702
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one
SMILESCC1C(=O)CCC2(c3ccccc3)c3nc(-c4ccccc4)ncc3CCC12
InChIInChI=1S/C25H24N2O/c1-17-21-13-12-19-16-26-24(18-8-4-2-5-9-18)27-23(19)25(21,15-14-22(17)28)20-10-6-3-7-11-20/h2-11,16-17,21H,12-15H2,1H3
InChIKeyGUNNXGXHAHOZDN-UHFFFAOYSA-N
XLogP4.99
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one with MolForge

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Related Compounds

(6aS,7S,10aS)-2-(2,6-difluorophenyl)-7-methyl-10a-phenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one
CID 118291755
(6aS,7S,10aR)-7-methyl-8-oxo-10a-phenyl-2-pyrimidin-5-yl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline-9-carbonitrile
CID 175177130
(6aS,7S,11aS)-7-methyl-11a-phenyl-2-pyridin-4-yl-6,6a,7,11-tetrahydro-5H-[1,2]benzoxazolo[6,5-h]quinazoline
CID 118290956
(5aS,6S,9aS)-3-bromo-6-methyl-9a-phenyl-4,5,5a,6,8,9-hexahydro-1H-benzo[g]indazol-7-one
CID 118291116
(6aS,7S,10aS)-2-anilino-4-chloro-7-methyl-10a-phenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one
CID 118291184
(6aS,7S,10aS)-7-methyl-10a-phenyl-5,6,6a,7,9,10-hexahydro-1H-benzo[h]quinazoline-2,4,8-trione
CID 118291605
(6aS,7S,11aS)-7,11a-dimethyl-2-phenyl-6,6a,7,11-tetrahydro-5H-[1]benzofuro[6,5-h]quinazoline
CID 140911448
3-[(6aS,7S,10aR)-9-cyano-7-methyl-8-oxo-2-phenyl-5,6,6a,7-tetrahydrobenzo[h]quinazolin-10a-yl]benzoic acid
CID 118291739
8-methyl-2-phenyl-6,7-dihydro-5H-quinazolin-8-amine
CID 115043186
(5aS,6S,9aS)-1,6-dimethyl-9a-phenyl-3-pyridin-3-yl-4,5,5a,6,8,9-hexahydrobenzo[g]indazol-7-one
CID 118291989
(6aS,7S,10aS)-7,10a-dimethyl-2-phenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one;(6'aS,7'S,10'aS)-7',10'a-dimethyl-2'-phenylspiro[1,3-dioxolane-2,8'-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline];(6aS,7S,9Z,10aS)-9-(hydroxymethylidene)-7,10a-dimethyl-2-phenyl-6,6a,7,10-tetrahydro-5H-benzo[h]quinazolin-8-one;(2'E,4'aS,5'S,8'aS)-2'-(hydroxymethylidene)-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-1'-one
CID 158070141
(6aS,7S,10aR)-2-(5-bromo-2-hydroxyphenyl)-7-methyl-8-oxo-10a-phenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazoline-9-carbonitrile
CID 175188875

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one?
The IUPAC name of 7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one (CID 118291702) is 7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one.
What is the SMILES notation for 7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one?
The canonical SMILES for 7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one is CC1C(=O)CCC2(c3ccccc3)c3nc(-c4ccccc4)ncc3CCC12.
What is the InChIKey of 7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one?
The InChIKey is GUNNXGXHAHOZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-17-21-13-12-19-16-26-24(18-8-4-2-5-9-18)27-23(19)25(21,15-14-22(17)28)20-10-6-3-7-11-20/h2-11,16-17,21H,12-15H2,1H3.
What are the key properties of 7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one?
7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one has a molecular weight of 368.48 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,10a-diphenyl-5,6,6a,7,9,10-hexahydrobenzo[h]quinazolin-8-one is sourced from PubChem (CID 118291702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).