(6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate

C10H6N2O6 — CID 70515512

IUPAC(6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1c[nH]c2ccc([N+](=O)[O-])cc2c1=O
InChIInChI=1S/C10H6N2O6/c13-9-6-3-5(12(16)17)1-2-7(6)11-4-8(9)18-10(14)15/h1-4H,(H,11,13)(H,14,15)
InChIKeyNCZDVGXBKHWZTH-UHFFFAOYSA-N
MW250.17 g/mol
LogP1.49
Rot. Bonds2

About (6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate

(6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate (PubChem CID 70515512) has the molecular formula C10H6N2O6 and a molecular weight of 250.17 g/mol. Its IUPAC name is (6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate
PubChem CID70515512
Molecular FormulaC10H6N2O6
Molecular Weight250.17 g/mol
Exact Mass250.02
IUPAC Name(6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate
SMILESO=C(O)Oc1c[nH]c2ccc([N+](=O)[O-])cc2c1=O
InChIInChI=1S/C10H6N2O6/c13-9-6-3-5(12(16)17)1-2-7(6)11-4-8(9)18-10(14)15/h1-4H,(H,11,13)(H,14,15)
InChIKeyNCZDVGXBKHWZTH-UHFFFAOYSA-N
XLogP1.49
TPSA122.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 51.49
H-Bond Donors ≤ 52
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 (6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate 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

6-nitro-3-pentanoyl-1H-quinolin-4-one
CID 44560519
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)propan-1-one
CID 43340493
(5-nitro-3-phenyl-1H-indol-2-yl) hydrogen carbonate
CID 68849165
methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 158561072
methyl (6-nitro-1H-indol-3-yl) carbonate
CID 57207350
5-nitro-1H-indole-3-sulfinic acid
CID 165454900
1-(5-nitro-1H-indol-3-yl)propan-2-ol
CID 11218277
1-(5-nitro-1H-indol-3-yl)pyrrole-2,5-dione
CID 70365665
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one
CID 62679540
(4-nitro-2-phenylphenyl) hydrogen carbonate
CID 53438460
(2-methoxy-2-oxoethyl) 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate
CID 10662398
7-nitro-9-oxo-10H-acridine-4-carboxylic acid
CID 542089

Frequently Asked Questions

What is the IUPAC name of (6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate?
The IUPAC name of (6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate (CID 70515512) is (6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate.
What is the SMILES notation for (6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate?
The canonical SMILES for (6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate is O=C(O)Oc1c[nH]c2ccc([N+](=O)[O-])cc2c1=O.
What is the InChIKey of (6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate?
The InChIKey is NCZDVGXBKHWZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O6/c13-9-6-3-5(12(16)17)1-2-7(6)11-4-8(9)18-10(14)15/h1-4H,(H,11,13)(H,14,15).
What are the key properties of (6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate?
(6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate has a molecular weight of 250.17 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-nitro-4-oxo-1H-quinolin-3-yl) hydrogen carbonate is sourced from PubChem (CID 70515512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).