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

C32H31BrN4O — CID 126326344

IUPAC6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
SMILESCc1cccc(Cn2c(C)c(C=Nn3c(C4CCCCC4)nc4ccc(Br)cc4c3=O)c3ccccc32)c1
InChIInChI=1S/C32H31BrN4O/c1-21-9-8-10-23(17-21)20-36-22(2)28(26-13-6-7-14-30(26)36)19-34-37-31(24-11-4-3-5-12-24)35-29-16-15-25(33)18-27(29)32(37)38/h6-10,13-19,24H,3-5,11-12,20H2,1-2H3
InChIKeyPMVKDOLJEIHVLZ-UHFFFAOYSA-N
MW567.53 g/mol
LogP7.71
Rot. Bonds5

About 6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one

6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one (PubChem CID 126326344) has the molecular formula C32H31BrN4O and a molecular weight of 567.53 g/mol. Its IUPAC name is 6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
PubChem CID126326344
Molecular FormulaC32H31BrN4O
Molecular Weight567.53 g/mol
Exact Mass566.17
IUPAC Name6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
SMILESCc1cccc(Cn2c(C)c(C=Nn3c(C4CCCCC4)nc4ccc(Br)cc4c3=O)c3ccccc32)c1
InChIInChI=1S/C32H31BrN4O/c1-21-9-8-10-23(17-21)20-36-22(2)28(26-13-6-7-14-30(26)36)19-34-37-31(24-11-4-3-5-12-24)35-29-16-15-25(33)18-27(29)32(37)38/h6-10,13-19,24H,3-5,11-12,20H2,1-2H3
InChIKeyPMVKDOLJEIHVLZ-UHFFFAOYSA-N
XLogP7.71
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.53
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one with MolForge

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Related Compounds

2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126291997
3-[[3-[(6-bromo-2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]methyl]benzoic acid
CID 126332252
6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126316993
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
4-[[3-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]methyl]benzoic acid
CID 126309921
methyl (2S)-2-[3-[(6-bromo-2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]propanoate
CID 126321420
2-[3-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methylindol-1-yl]acetic acid
CID 126296511
6-bromo-2-cyclohexyl-3-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]quinazolin-4-one
CID 126323988
6-bromo-2-cyclohexyl-3-[[1-(2-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]quinazolin-4-one
CID 126317559
3-[[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126306389
3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126303888

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one?
The IUPAC name of 6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one (CID 126326344) is 6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one is Cc1cccc(Cn2c(C)c(C=Nn3c(C4CCCCC4)nc4ccc(Br)cc4c3=O)c3ccccc32)c1.
What is the InChIKey of 6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one?
The InChIKey is PMVKDOLJEIHVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31BrN4O/c1-21-9-8-10-23(17-21)20-36-22(2)28(26-13-6-7-14-30(26)36)19-34-37-31(24-11-4-3-5-12-24)35-29-16-15-25(33)18-27(29)32(37)38/h6-10,13-19,24H,3-5,11-12,20H2,1-2H3.
What are the key properties of 6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one?
6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one has a molecular weight of 567.53 g/mol, XLogP of 7.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclohexyl-3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126326344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).