4-chloro-3-nitro-1-phenylquinolin-2-one

C15H9ClN2O3 — CID 736916

IUPAC4-chloro-3-nitro-1-phenylquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(Cl)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C15H9ClN2O3/c16-13-11-8-4-5-9-12(11)17(10-6-2-1-3-7-10)15(19)14(13)18(20)21/h1-9H
InChIKeyXMVBIQDOMQZCFV-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.55
Rot. Bonds2

About 4-chloro-3-nitro-1-phenylquinolin-2-one

4-chloro-3-nitro-1-phenylquinolin-2-one (PubChem CID 736916) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 4-chloro-3-nitro-1-phenylquinolin-2-one.

Molecular Properties

Compound Name4-chloro-3-nitro-1-phenylquinolin-2-one
PubChem CID736916
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name4-chloro-3-nitro-1-phenylquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(Cl)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C15H9ClN2O3/c16-13-11-8-4-5-9-12(11)17(10-6-2-1-3-7-10)15(19)14(13)18(20)21/h1-9H
InChIKeyXMVBIQDOMQZCFV-UHFFFAOYSA-N
XLogP3.55
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-3-nitro-1-phenylquinolin-2-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

4-Chloro-1-methyl-3-nitro-1,2-dihydroquinolin-2-one
CID 701939
6-Chloro-3-nitro-4-phenyl-quinolin-2-ol
CID 627227
3-nitro-1-phenyl-4-(pyrrolidin-1-yl)quinolin-2(1H)-one
CID 2879094
4-Chloro-1-methyl-3-(2-nitro-phenyl)-1H-quinolin-2-one
CID 701941
4-(diethylamino)-1-methyl-3-nitroquinolin-2(1H)-one
CID 2863862
3-Amino-6-nitro-4-phenyl-1H-quinolin-2-one
CID 5378140
4-chloro-1-ethyl-3-nitroquinolin-2(1H)-one
CID 800048
4-[Benzyl(methyl)amino]-1-methyl-3-nitroquinolin-2-one
CID 3399189
4-(Diethylamino)-1-ethyl-3-nitroquinolin-2-one
CID 3836253
(2E,4E)-5-(2-nitrophenyl)-1-(4-phenylpiperazin-1-yl)penta-2,4-dien-1-one
CID 23658215
4-Chloro-1-phenylquinolin-2-one
CID 968913
3-(2-nitrophenyl)-N-phenylacrylamide
CID 690172

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-1-phenylquinolin-2-one?
The IUPAC name of 4-chloro-3-nitro-1-phenylquinolin-2-one (CID 736916) is 4-chloro-3-nitro-1-phenylquinolin-2-one.
What is the SMILES notation for 4-chloro-3-nitro-1-phenylquinolin-2-one?
The canonical SMILES for 4-chloro-3-nitro-1-phenylquinolin-2-one is O=c1c([N+](=O)[O-])c(Cl)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 4-chloro-3-nitro-1-phenylquinolin-2-one?
The InChIKey is XMVBIQDOMQZCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-13-11-8-4-5-9-12(11)17(10-6-2-1-3-7-10)15(19)14(13)18(20)21/h1-9H.
What are the key properties of 4-chloro-3-nitro-1-phenylquinolin-2-one?
4-chloro-3-nitro-1-phenylquinolin-2-one has a molecular weight of 300.70 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-1-phenylquinolin-2-one is sourced from PubChem (CID 736916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).