2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one

C11H12ClN3O — CID 136917917

IUPAC2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
SMILESCC(N)Cc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C11H12ClN3O/c1-6(13)4-10-14-9-5-7(12)2-3-8(9)11(16)15-10/h2-3,5-6H,4,13H2,1H3,(H,14,15,16)
InChIKeyGKLVNWQCABPXEZ-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.47
Rot. Bonds2

About 2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one

2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one (PubChem CID 136917917) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
PubChem CID136917917
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
SMILESCC(N)Cc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C11H12ClN3O/c1-6(13)4-10-14-9-5-7(12)2-3-8(9)11(16)15-10/h2-3,5-6H,4,13H2,1H3,(H,14,15,16)
InChIKeyGKLVNWQCABPXEZ-UHFFFAOYSA-N
XLogP1.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminopropyl)-7-chloro-3H-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-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methylamino]butanamide
CID 136952206
7-chloro-2-[(4-ethylpyridin-1-ium-1-yl)methyl]-3H-quinazolin-4-one
CID 135677170
7-chloro-2-[(2-methoxypropylamino)methyl]-3H-quinazolin-4-one
CID 136820283
7-chloro-2-[(4,4,4-trifluorobutan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136786648
7-chloro-2-[(1-ethylsulfanylpropan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136954266
7-chloro-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809554
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl N'-(4-chlorophenyl)carbamimidothioate
CID 135729696
7-chloro-2-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3H-quinazolin-4-one
CID 135751440
4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 135939282
3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]propanenitrile
CID 167913239
7-chloro-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951727
7-chloro-2-(dimethylamino)-3H-quinazolin-4-one
CID 137287755

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one?
The IUPAC name of 2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one (CID 136917917) is 2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one is CC(N)Cc1nc2cc(Cl)ccc2c(=O)[nH]1.
What is the InChIKey of 2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one?
The InChIKey is GKLVNWQCABPXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-6(13)4-10-14-9-5-7(12)2-3-8(9)11(16)15-10/h2-3,5-6H,4,13H2,1H3,(H,14,15,16).
What are the key properties of 2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one?
2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one has a molecular weight of 237.69 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one is sourced from PubChem (CID 136917917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).