2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one

C27H23N3O — CID 2870092

IUPAC2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
SMILESCCn1c(C=Cc2cn(Cc3ccccc3)c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C27H23N3O/c1-2-30-26(28-24-14-8-6-13-23(24)27(30)31)17-16-21-19-29(18-20-10-4-3-5-11-20)25-15-9-7-12-22(21)25/h3-17,19H,2,18H2,1H3
InChIKeyGGHOSSOPZCJVCM-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.59
Rot. Bonds5

About 2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one

2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one (PubChem CID 2870092) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
PubChem CID2870092
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
SMILESCCn1c(C=Cc2cn(Cc3ccccc3)c3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C27H23N3O/c1-2-30-26(28-24-14-8-6-13-23(24)27(30)31)17-16-21-19-29(18-20-10-4-3-5-11-20)25-15-9-7-12-22(21)25/h3-17,19H,2,18H2,1H3
InChIKeyGGHOSSOPZCJVCM-UHFFFAOYSA-N
XLogP5.59
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1-benzylindol-3-yl)ethenyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 3755492
2-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one
CID 92912504
3-benzyl-2-[2-(1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
CID 3849018
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
3-ethyl-2-[(Z)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 7334704
3-benzyl-2-[(E)-2-(1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 135408354
3-benzyl-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
CID 53245550
2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-6-iodo-3-(3-methylphenyl)quinazolin-4-one
CID 6247514
3-ethyl-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
CID 5377736
3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 3125241
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-ethylquinazolin-4-one
CID 135544846
2-[(E)-2-(1-ethylindol-3-yl)ethenyl]-3H-quinazolin-4-one
CID 135584613

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one?
The IUPAC name of 2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one (CID 2870092) is 2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one.
What is the SMILES notation for 2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one?
The canonical SMILES for 2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one is CCn1c(C=Cc2cn(Cc3ccccc3)c3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one?
The InChIKey is GGHOSSOPZCJVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O/c1-2-30-26(28-24-14-8-6-13-23(24)27(30)31)17-16-21-19-29(18-20-10-4-3-5-11-20)25-15-9-7-12-22(21)25/h3-17,19H,2,18H2,1H3.
What are the key properties of 2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one?
2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one has a molecular weight of 405.50 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzylindol-3-yl)ethenyl]-3-ethylquinazolin-4-one is sourced from PubChem (CID 2870092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).