2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one

C23H17N3O2 — CID 4519951

IUPAC2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one
SMILESO=C1Nc2ccccc2C1Cc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H17N3O2/c27-22-18(16-10-4-6-12-19(16)25-22)14-21-24-20-13-7-5-11-17(20)23(28)26(21)15-8-2-1-3-9-15/h1-13,18H,14H2,(H,25,27)
InChIKeyQIAMVYAWUXHATM-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.66
Rot. Bonds3

About 2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one

2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one (PubChem CID 4519951) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one
PubChem CID4519951
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one
SMILESO=C1Nc2ccccc2C1Cc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H17N3O2/c27-22-18(16-10-4-6-12-19(16)25-22)14-21-24-20-13-7-5-11-17(20)23(28)26(21)15-8-2-1-3-9-15/h1-13,18H,14H2,(H,25,27)
InChIKeyQIAMVYAWUXHATM-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-oxo-1,3-dihydroindol-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-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one (CID 4519951) is 2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one is O=C1Nc2ccccc2C1Cc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one?
The InChIKey is QIAMVYAWUXHATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-22-18(16-10-4-6-12-19(16)25-22)14-21-24-20-13-7-5-11-17(20)23(28)26(21)15-8-2-1-3-9-15/h1-13,18H,14H2,(H,25,27).
What are the key properties of 2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one?
2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one has a molecular weight of 367.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydroindol-3-yl)methyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 4519951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).