2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one

C32H32N4O — CID 126291997

IUPAC2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
SMILESCc1cccc(Cn2c(C)c(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)c3ccccc32)c1
InChIInChI=1S/C32H32N4O/c1-22-11-10-12-24(19-22)21-35-23(2)28(26-15-7-9-18-30(26)35)20-33-36-31(25-13-4-3-5-14-25)34-29-17-8-6-16-27(29)32(36)37/h6-12,15-20,25H,3-5,13-14,21H2,1-2H3
InChIKeyOVCHDXRHRLMPIE-UHFFFAOYSA-N
MW488.64 g/mol
LogP6.95
Rot. Bonds5

About 2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one

2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one (PubChem CID 126291997) has the molecular formula C32H32N4O and a molecular weight of 488.64 g/mol. Its IUPAC name is 2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
PubChem CID126291997
Molecular FormulaC32H32N4O
Molecular Weight488.64 g/mol
Exact Mass488.26
IUPAC Name2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
SMILESCc1cccc(Cn2c(C)c(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)c3ccccc32)c1
InChIInChI=1S/C32H32N4O/c1-22-11-10-12-24(19-22)21-35-23(2)28(26-15-7-9-18-30(26)35)20-33-36-31(25-13-4-3-5-14-25)34-29-17-8-6-16-27(29)32(36)37/h6-12,15-20,25H,3-5,13-14,21H2,1-2H3
InChIKeyOVCHDXRHRLMPIE-UHFFFAOYSA-N
XLogP6.95
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126326344
4-[[3-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]methyl]benzoic acid
CID 126309921
3-[[3-[(6-bromo-2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]methyl]benzoic acid
CID 126332252
2-[3-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetic acid
CID 126296511
6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126316993
3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126303888
2-[3-[(6-bromo-2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetonitrile
CID 126307571
6-bromo-2-tert-butyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126291393
2-cyclohexyl-3-[[2-[(3-methylphenyl)methoxy]-3-nitrophenyl]methylideneamino]quinazolin-4-one
CID 126289464
2-cyclohexyl-3-[[4-[(3-methylphenyl)methoxy]-3-nitrophenyl]methylideneamino]quinazolin-4-one
CID 126304761
2-cyclohexyl-3-[[2-[(3-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]quinazolin-4-one
CID 126294699
3-[[5-chloro-2-[(3-methylphenyl)methoxy]-3-nitrophenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126301440

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one?
The IUPAC name of 2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one (CID 126291997) is 2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one is Cc1cccc(Cn2c(C)c(C=Nn3c(C4CCCCC4)nc4ccccc4c3=O)c3ccccc32)c1.
What is the InChIKey of 2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one?
The InChIKey is OVCHDXRHRLMPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O/c1-22-11-10-12-24(19-22)21-35-23(2)28(26-15-7-9-18-30(26)35)20-33-36-31(25-13-4-3-5-14-25)34-29-17-8-6-16-27(29)32(36)37/h6-12,15-20,25H,3-5,13-14,21H2,1-2H3.
What are the key properties of 2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one?
2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one has a molecular weight of 488.64 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126291997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).