(7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid

C9H6ClN2O6P — CID 18184112

IUPAC(7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid
SMILESO=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2cc1P(=O)(O)O
InChIInChI=1S/C9H6ClN2O6P/c10-5-3-6-4(1-7(5)12(14)15)2-8(9(13)11-6)19(16,17)18/h1-3H,(H,11,13)(H2,16,17,18)
InChIKeyFJOUADKZIMUAAD-UHFFFAOYSA-N
MW304.58 g/mol
LogP0.89
Rot. Bonds2

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

(7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid (PubChem CID 18184112) has the molecular formula C9H6ClN2O6P and a molecular weight of 304.58 g/mol. Its IUPAC name is (7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid.

Molecular Properties

Compound Name(7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid
PubChem CID18184112
Molecular FormulaC9H6ClN2O6P
Molecular Weight304.58 g/mol
Exact Mass303.97
IUPAC Name(7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid
SMILESO=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2cc1P(=O)(O)O
InChIInChI=1S/C9H6ClN2O6P/c10-5-3-6-4(1-7(5)12(14)15)2-8(9(13)11-6)19(16,17)18/h1-3H,(H,11,13)(H2,16,17,18)
InChIKeyFJOUADKZIMUAAD-UHFFFAOYSA-N
XLogP0.89
TPSA133.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 50.89
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-nitro-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-(3-nitrophenyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
CID 10992551
[7-chloro-6-(hydroxysulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
CID 11760033
(7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid
CID 10945159
[7-chloro-6-(dimethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid
CID 10155805
5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one
CID 14566226
3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one
CID 10752580
5-chloro-2-methyl-6-nitro-1H-indole
CID 141450137
5,6,7-trichloro-4-hydroxy-3-nitro-1H-quinolin-2-one
CID 54698129
5,6-dichloro-3-nitro-1H-pyridin-2-one
CID 125483662
methyl 3-methyl-6-nitro-2-oxo-1H-quinoline-7-carboxylate
CID 165370550
6,7-dichloro-3-(3,4-dihydroxy-5-nitrophenyl)-1H-quinoxalin-2-one
CID 135665333
3-(2,6-dichloro-3-nitrophenyl)-1H-quinolin-2-one
CID 59833933

Frequently Asked Questions

What is the IUPAC name of (7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid?
The IUPAC name of (7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid (CID 18184112) is (7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid.
What is the SMILES notation for (7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid?
The canonical SMILES for (7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid is O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2cc1P(=O)(O)O.
What is the InChIKey of (7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid?
The InChIKey is FJOUADKZIMUAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN2O6P/c10-5-3-6-4(1-7(5)12(14)15)2-8(9(13)11-6)19(16,17)18/h1-3H,(H,11,13)(H2,16,17,18).
What are the key properties of (7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid?
(7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid has a molecular weight of 304.58 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid is sourced from PubChem (CID 18184112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).