2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one

C21H13ClN2O3 — CID 177450866

IUPAC2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one
SMILESO=c1c(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H13ClN2O3/c22-15-9-5-14(6-10-15)20-19(13-7-11-16(12-8-13)24(26)27)21(25)17-3-1-2-4-18(17)23-20/h1-12H,(H,23,25)
InChIKeyCKZICIYTHVZHPF-UHFFFAOYSA-N
MW376.80 g/mol
LogP5.42
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one

2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one (PubChem CID 177450866) has the molecular formula C21H13ClN2O3 and a molecular weight of 376.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one
PubChem CID177450866
Molecular FormulaC21H13ClN2O3
Molecular Weight376.80 g/mol
Exact Mass376.06
IUPAC Name2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one
SMILESO=c1c(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H13ClN2O3/c22-15-9-5-14(6-10-15)20-19(13-7-11-16(12-8-13)24(26)27)21(25)17-3-1-2-4-18(17)23-20/h1-12H,(H,23,25)
InChIKeyCKZICIYTHVZHPF-UHFFFAOYSA-N
XLogP5.42
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.80
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(4-nitrophenyl)-1H-indole
CID 132544245
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
2-(4-chlorophenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3822875
4,5-bis(4-chlorophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 2832814
2-benzoyl-3-(4-chlorophenyl)-1H-quinolin-4-one
CID 132534397
4-[3-(3,4-dichlorophenyl)-4-oxo-1H-quinolin-2-yl]benzonitrile
CID 122395916
5,6,11,12-tetrakis(4-nitrophenyl)tetracene
CID 71427655
2-nitro-10H-acridin-9-one;sulfuryl dichloride
CID 159861980
CID 70381437
CID 70381437
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931
3-(4-chlorophenyl)-4-(4-nitrophenyl)furan-2,5-dione
CID 86081138
2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
CID 3568326

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one (CID 177450866) is 2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one is O=c1c(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one?
The InChIKey is CKZICIYTHVZHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN2O3/c22-15-9-5-14(6-10-15)20-19(13-7-11-16(12-8-13)24(26)27)21(25)17-3-1-2-4-18(17)23-20/h1-12H,(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one?
2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one has a molecular weight of 376.80 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one is sourced from PubChem (CID 177450866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).