2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one

C24H19N3O2 — CID 2862988

IUPAC2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
SMILESCN1C(=O)C(Cc2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19N3O2/c1-26-21-14-8-6-11-17(21)19(23(26)28)15-22-25-20-13-7-5-12-18(20)24(29)27(22)16-9-3-2-4-10-16/h2-14,19H,15H2,1H3
InChIKeyUAWCQVLPCJBTKC-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.69
Rot. Bonds3

About 2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one

2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one (PubChem CID 2862988) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
PubChem CID2862988
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
SMILESCN1C(=O)C(Cc2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19N3O2/c1-26-21-14-8-6-11-17(21)19(23(26)28)15-22-25-20-13-7-5-12-18(20)24(29)27(22)16-9-3-2-4-10-16/h2-14,19H,15H2,1H3
InChIKeyUAWCQVLPCJBTKC-UHFFFAOYSA-N
XLogP3.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-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

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one (CID 2862988) is 2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one is CN1C(=O)C(Cc2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one?
The InChIKey is UAWCQVLPCJBTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-26-21-14-8-6-11-17(21)19(23(26)28)15-22-25-20-13-7-5-12-18(20)24(29)27(22)16-9-3-2-4-10-16/h2-14,19H,15H2,1H3.
What are the key properties of 2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one?
2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one has a molecular weight of 381.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 2862988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).