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

C30H26Cl2N4O — CID 126312948

IUPAC2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C30H26Cl2N4O/c31-23-15-14-21(26(32)16-23)18-35-19-22(24-10-5-7-13-28(24)35)17-33-36-29(20-8-2-1-3-9-20)34-27-12-6-4-11-25(27)30(36)37/h4-7,10-17,19-20H,1-3,8-9,18H2
InChIKeyPYOQFRXMYIMADW-UHFFFAOYSA-N
MW529.47 g/mol
LogP7.64
Rot. Bonds5

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

2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one (PubChem CID 126312948) has the molecular formula C30H26Cl2N4O and a molecular weight of 529.47 g/mol. Its IUPAC name is 2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
PubChem CID126312948
Molecular FormulaC30H26Cl2N4O
Molecular Weight529.47 g/mol
Exact Mass528.15
IUPAC Name2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C30H26Cl2N4O/c31-23-15-14-21(26(32)16-23)18-35-19-22(24-10-5-7-13-28(24)35)17-33-36-29(20-8-2-1-3-9-20)34-27-12-6-4-11-25(27)30(36)37/h4-7,10-17,19-20H,1-3,8-9,18H2
InChIKeyPYOQFRXMYIMADW-UHFFFAOYSA-N
XLogP7.64
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.47
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one with MolForge

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Related Compounds

3-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126313374
2-cyclohexyl-3-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]quinazolin-4-one
CID 126314089
3-[[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126306389
2-cyclohexyl-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126290795
3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126307309
3-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126302253
3-[(5-chloro-2-ethoxyphenyl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126284783
3-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126285874
3-[[1-[(2R)-butan-2-yl]indol-3-yl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126303608
2-[[4-chloro-2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]methyl]benzonitrile
CID 126291166
2-[4-chloro-2-[(2-cyclohexyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 126289284
6-bromo-3-[[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126333512

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one?
The IUPAC name of 2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one (CID 126312948) is 2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one is O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one?
The InChIKey is PYOQFRXMYIMADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N4O/c31-23-15-14-21(26(32)16-23)18-35-19-22(24-10-5-7-13-28(24)35)17-33-36-29(20-8-2-1-3-9-20)34-27-12-6-4-11-25(27)30(36)37/h4-7,10-17,19-20H,1-3,8-9,18H2.
What are the key properties of 2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one?
2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one has a molecular weight of 529.47 g/mol, XLogP of 7.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126312948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).