8-nitro-N-oxoquinoline-4-carboxamide

C10H5N3O4 — CID 126516707

IUPAC8-nitro-N-oxoquinoline-4-carboxamide
SMILESO=NC(=O)c1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C10H5N3O4/c14-10(12-15)7-4-5-11-9-6(7)2-1-3-8(9)13(16)17/h1-5H
InChIKeyIOTHCMCTFCSJOJ-UHFFFAOYSA-N
MW231.17 g/mol
LogP2.05
Rot. Bonds2

About 8-nitro-N-oxoquinoline-4-carboxamide

8-nitro-N-oxoquinoline-4-carboxamide (PubChem CID 126516707) has the molecular formula C10H5N3O4 and a molecular weight of 231.17 g/mol. Its IUPAC name is 8-nitro-N-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name8-nitro-N-oxoquinoline-4-carboxamide
PubChem CID126516707
Molecular FormulaC10H5N3O4
Molecular Weight231.17 g/mol
Exact Mass231.03
IUPAC Name8-nitro-N-oxoquinoline-4-carboxamide
SMILESO=NC(=O)c1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C10H5N3O4/c14-10(12-15)7-4-5-11-9-6(7)2-1-3-8(9)13(16)17/h1-5H
InChIKeyIOTHCMCTFCSJOJ-UHFFFAOYSA-N
XLogP2.05
TPSA102.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-nitro-N-oxoquinoline-4-carboxamide 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

2-(8-nitroquinolin-4-yl)butanoic acid
CID 113428090
4-[(8-nitroquinolin-4-yl)amino]butanoic acid
CID 83060998
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 83066709
8-nitro-N-pentan-3-ylquinolin-4-amine
CID 83060706
2-[2,2-difluoroethyl-(8-nitroquinolin-4-yl)amino]ethanol
CID 107484119
8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine
CID 83066870
2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol
CID 104553730
10-nitropyrazino[2,3-c]isoquinoline-6-carboxylic acid
CID 15046242
3,4-dichloro-8-nitroquinoline
CID 19592722
8-nitroquinazolin-4-amine
CID 119088065
3-[(8-nitroquinolin-4-yl)amino]pentanoic acid
CID 83066525

Frequently Asked Questions

What is the IUPAC name of 8-nitro-N-oxoquinoline-4-carboxamide?
The IUPAC name of 8-nitro-N-oxoquinoline-4-carboxamide (CID 126516707) is 8-nitro-N-oxoquinoline-4-carboxamide.
What is the SMILES notation for 8-nitro-N-oxoquinoline-4-carboxamide?
The canonical SMILES for 8-nitro-N-oxoquinoline-4-carboxamide is O=NC(=O)c1ccnc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 8-nitro-N-oxoquinoline-4-carboxamide?
The InChIKey is IOTHCMCTFCSJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O4/c14-10(12-15)7-4-5-11-9-6(7)2-1-3-8(9)13(16)17/h1-5H.
What are the key properties of 8-nitro-N-oxoquinoline-4-carboxamide?
8-nitro-N-oxoquinoline-4-carboxamide has a molecular weight of 231.17 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-N-oxoquinoline-4-carboxamide is sourced from PubChem (CID 126516707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).