2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one

C22H21N3O2 — CID 2880240

IUPAC2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one
SMILESCOc1ccc2c(c1)c(C=Cc1nc3ccccc3c(=O)n1C)c(C)n2C
InChIInChI=1S/C22H21N3O2/c1-14-16(18-13-15(27-4)9-11-20(18)24(14)2)10-12-21-23-19-8-6-5-7-17(19)22(26)25(21)3/h5-13H,1-4H3
InChIKeyRJLHERBVQQIVFM-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.91
Rot. Bonds3

About 2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one

2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one (PubChem CID 2880240) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one
PubChem CID2880240
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one
SMILESCOc1ccc2c(c1)c(C=Cc1nc3ccccc3c(=O)n1C)c(C)n2C
InChIInChI=1S/C22H21N3O2/c1-14-16(18-13-15(27-4)9-11-20(18)24(14)2)10-12-21-23-19-8-6-5-7-17(19)22(26)25(21)3/h5-13H,1-4H3
InChIKeyRJLHERBVQQIVFM-UHFFFAOYSA-N
XLogP3.91
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-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

3-(3-hydroxypropyl)-2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]quinazolin-4-one
CID 2966521
2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 2880243
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-[(Z)-2-(1,2-dimethylindol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 92912509
3-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 2880245
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
5-methoxy-1,2-dimethyl-3-(2-nitroethenyl)indole
CID 77469691
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3767381
2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 92967429
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(2-methylbenzimidazol-1-yl)quinazolin-4-one
CID 6367026

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one (CID 2880240) is 2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one is COc1ccc2c(c1)c(C=Cc1nc3ccccc3c(=O)n1C)c(C)n2C.
What is the InChIKey of 2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one?
The InChIKey is RJLHERBVQQIVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-14-16(18-13-15(27-4)9-11-20(18)24(14)2)10-12-21-23-19-8-6-5-7-17(19)22(26)25(21)3/h5-13H,1-4H3.
What are the key properties of 2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one?
2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one has a molecular weight of 359.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methoxy-1,2-dimethylindol-3-yl)ethenyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 2880240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).