6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide

C15H10N4O4 — CID 21241476

IUPAC6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide
SMILESO=C(Nc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc2c1=O
InChIInChI=1S/C15H10N4O4/c20-14-11-8-10(19(22)23)6-7-12(11)17-18-13(14)15(21)16-9-4-2-1-3-5-9/h1-8H,(H,16,21)(H,17,20)
InChIKeyNIBXGRORAFIPCX-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.08
Rot. Bonds3

About 6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide

6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide (PubChem CID 21241476) has the molecular formula C15H10N4O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide.

Molecular Properties

Compound Name6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide
PubChem CID21241476
Molecular FormulaC15H10N4O4
Molecular Weight310.27 g/mol
Exact Mass310.07
IUPAC Name6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide
SMILESO=C(Nc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc2c1=O
InChIInChI=1S/C15H10N4O4/c20-14-11-8-10(19(22)23)6-7-12(11)17-18-13(14)15(21)16-9-4-2-1-3-5-9/h1-8H,(H,16,21)(H,17,20)
InChIKeyNIBXGRORAFIPCX-UHFFFAOYSA-N
XLogP2.08
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.08
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'}

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Related Compounds

6-nitro-4-oxo-N-pyridin-2-yl-1H-cinnoline-3-carboxamide
CID 21241436
N-(3-chlorophenyl)-5-nitro-1H-indazole-3-carboxamide
CID 35374426
5-nitro-N-(4-propan-2-yloxyphenyl)-1H-indazole-3-carboxamide
CID 60516598
3-bromo-6-nitro-1H-cinnolin-4-one
CID 20505029
4-benzoyl-N-(5-nitro-1H-indazol-3-yl)benzamide
CID 71907763
5-nitro-N-[(2S)-2-phenylpropyl]-1H-indazole-3-carboxamide
CID 35411829
(2R)-3-methyl-2-[(5-nitro-1H-indazole-3-carbonyl)amino]butanoic acid
CID 119368722
N-(3-fluorophenyl)-6-methyl-4-oxo-1H-cinnoline-3-carboxamide
CID 21241441
N-(1-tert-butylbenzimidazol-2-yl)-5-nitro-1H-indazole-3-carboxamide
CID 56510222
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-5-nitro-1H-indazole-3-carboxamide
CID 112821488
N-(1-hydroxypropan-2-yl)-5-nitro-1H-indazole-3-carboxamide
CID 78856338
N-(3-aminobutyl)-5-nitro-1H-indazole-3-carboxamide
CID 119495670

Frequently Asked Questions

What is the IUPAC name of 6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide?
The IUPAC name of 6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide (CID 21241476) is 6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide.
What is the SMILES notation for 6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide?
The canonical SMILES for 6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide is O=C(Nc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc2c1=O.
What is the InChIKey of 6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide?
The InChIKey is NIBXGRORAFIPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O4/c20-14-11-8-10(19(22)23)6-7-12(11)17-18-13(14)15(21)16-9-4-2-1-3-5-9/h1-8H,(H,16,21)(H,17,20).
What are the key properties of 6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide?
6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide has a molecular weight of 310.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide is sourced from PubChem (CID 21241476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).