2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one

C20H21N3O — CID 24989172

IUPAC2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one
SMILESCCCCc1nc2ccccc2c(=O)n1-c1ccc2c(c1)CCN2
InChIInChI=1S/C20H21N3O/c1-2-3-8-19-22-18-7-5-4-6-16(18)20(24)23(19)15-9-10-17-14(13-15)11-12-21-17/h4-7,9-10,13,21H,2-3,8,11-12H2,1H3
InChIKeySLBVSAWHOIHARW-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.70
Rot. Bonds4

About 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one

2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one (PubChem CID 24989172) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one
PubChem CID24989172
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one
SMILESCCCCc1nc2ccccc2c(=O)n1-c1ccc2c(c1)CCN2
InChIInChI=1S/C20H21N3O/c1-2-3-8-19-22-18-7-5-4-6-16(18)20(24)23(19)15-9-10-17-14(13-15)11-12-21-17/h4-7,9-10,13,21H,2-3,8,11-12H2,1H3
InChIKeySLBVSAWHOIHARW-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-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-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine
CID 24989132
2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one
CID 91476912
N-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]-N-methylpyrrolidine-1-carboxamide
CID 143730756
2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one
CID 71072745
CID 87756550
CID 87756550
2-ethyl-3-phenylquinazolin-4-one
CID 719985
[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]methyl N-tert-butylcarbamate
CID 24989164
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
2-[2-(dimethylamino)ethyl]-3-phenylquinazolin-4-one
CID 3239245
3-amino-2-heptylquinazolin-4-one
CID 154013236
[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]methylazanium chloride
CID 23004805

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one?
The IUPAC name of 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one (CID 24989172) is 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one.
What is the SMILES notation for 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one?
The canonical SMILES for 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one is CCCCc1nc2ccccc2c(=O)n1-c1ccc2c(c1)CCN2.
What is the InChIKey of 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one?
The InChIKey is SLBVSAWHOIHARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-3-8-19-22-18-7-5-4-6-16(18)20(24)23(19)15-9-10-17-14(13-15)11-12-21-17/h4-7,9-10,13,21H,2-3,8,11-12H2,1H3.
What are the key properties of 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one?
2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one has a molecular weight of 319.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(2,3-dihydro-1H-indol-5-yl)quinazolin-4-one is sourced from PubChem (CID 24989172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).