[7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid

C15H10ClN2O6P — CID 10992551

IUPAC[7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
SMILESO=c1[nH]c2cc(Cl)c(-c3cccc([N+](=O)[O-])c3)cc2cc1P(=O)(O)O
InChIInChI=1S/C15H10ClN2O6P/c16-12-7-13-9(6-14(15(19)17-13)25(22,23)24)5-11(12)8-2-1-3-10(4-8)18(20)21/h1-7H,(H,17,19)(H2,22,23,24)
InChIKeyUVTSXKQGCSCOLG-UHFFFAOYSA-N
MW380.68 g/mol
LogP2.56
Rot. Bonds3

About [7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid

[7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid (PubChem CID 10992551) has the molecular formula C15H10ClN2O6P and a molecular weight of 380.68 g/mol. Its IUPAC name is [7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid.

Molecular Properties

Compound Name[7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
PubChem CID10992551
Molecular FormulaC15H10ClN2O6P
Molecular Weight380.68 g/mol
Exact Mass380.00
IUPAC Name[7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
SMILESO=c1[nH]c2cc(Cl)c(-c3cccc([N+](=O)[O-])c3)cc2cc1P(=O)(O)O
InChIInChI=1S/C15H10ClN2O6P/c16-12-7-13-9(6-14(15(19)17-13)25(22,23)24)5-11(12)8-2-1-3-10(4-8)18(20)21/h1-7H,(H,17,19)(H2,22,23,24)
InChIKeyUVTSXKQGCSCOLG-UHFFFAOYSA-N
XLogP2.56
TPSA133.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.68
LogP ≤ 52.56
H-Bond Donors ≤ 53
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid 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

(7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid
CID 18184112
1,4-dichloro-2-nitro-5-(3-nitrophenyl)benzene
CID 173315914
(7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid
CID 10945159
3-(3-nitrophenyl)-1H-quinoxalin-2-one
CID 129286598
[7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
CID 10155805
4-hydroxy-5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one
CID 66287184
2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide
CID 69347834
4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656735
3-(hydroxymethyl)-6-(3-nitrophenyl)-1H-pyridin-2-one
CID 82517149
3,5-dichloro-2-methoxy-6-(3-nitrophenyl)pyridine
CID 121014556
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202

Frequently Asked Questions

What is the IUPAC name of [7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid?
The IUPAC name of [7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid (CID 10992551) is [7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid.
What is the SMILES notation for [7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid?
The canonical SMILES for [7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid is O=c1[nH]c2cc(Cl)c(-c3cccc([N+](=O)[O-])c3)cc2cc1P(=O)(O)O.
What is the InChIKey of [7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid?
The InChIKey is UVTSXKQGCSCOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN2O6P/c16-12-7-13-9(6-14(15(19)17-13)25(22,23)24)5-11(12)8-2-1-3-10(4-8)18(20)21/h1-7H,(H,17,19)(H2,22,23,24).
What are the key properties of [7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid?
[7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid has a molecular weight of 380.68 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-6-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid is sourced from PubChem (CID 10992551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).