3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide

C15H10N4O4 — CID 3937825

IUPAC3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide
SMILESO=C(Nc1n[nH]c2ccccc2c1=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H10N4O4/c20-13-11-6-1-2-7-12(11)17-18-14(13)16-15(21)9-4-3-5-10(8-9)19(22)23/h1-8H,(H,17,20)(H,16,18,21)
InChIKeyFPQPQXAFDFVGHJ-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.08
Rot. Bonds3

About 3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide

3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide (PubChem CID 3937825) has the molecular formula C15H10N4O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide
PubChem CID3937825
Molecular FormulaC15H10N4O4
Molecular Weight310.27 g/mol
Exact Mass310.07
IUPAC Name3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide
SMILESO=C(Nc1n[nH]c2ccccc2c1=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H10N4O4/c20-13-11-6-1-2-7-12(11)17-18-14(13)16-15(21)9-4-3-5-10(8-9)19(22)23/h1-8H,(H,17,20)(H,16,18,21)
InChIKeyFPQPQXAFDFVGHJ-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

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N-(5-nitro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
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3-[(3-nitrobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 122584500
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-(1H-indol-4-yl)-3-nitrobenzamide
CID 57067531
N-(2,4-dioxo-1H-pyrimidin-6-yl)-3-nitrobenzamide
CID 2148521
3-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 3863053
ethyl 6-amino-3-[(3-nitrobenzoyl)amino]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 57385641
3-[[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]amino]-N-(5-nitro-1H-indazol-3-yl)benzamide
CID 99792834
3-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 3807378
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide?
The IUPAC name of 3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide (CID 3937825) is 3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide.
What is the SMILES notation for 3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide?
The canonical SMILES for 3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide is O=C(Nc1n[nH]c2ccccc2c1=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide?
The InChIKey is FPQPQXAFDFVGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O4/c20-13-11-6-1-2-7-12(11)17-18-14(13)16-15(21)9-4-3-5-10(8-9)19(22)23/h1-8H,(H,17,20)(H,16,18,21).
What are the key properties of 3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide?
3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide 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 3-nitro-N-(4-oxo-1H-cinnolin-3-yl)benzamide is sourced from PubChem (CID 3937825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).