4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide

C17H13N3O6 — CID 176509093

IUPAC4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(O)c3cc([N+](=O)[O-])ccc3[nH]c2=O)cc1
InChIInChI=1S/C17H13N3O6/c1-26-11-5-2-9(3-6-11)18-16(22)14-15(21)12-8-10(20(24)25)4-7-13(12)19-17(14)23/h2-8H,1H3,(H,18,22)(H2,19,21,23)
InChIKeyRSKWQDZOSWCSMG-UHFFFAOYSA-N
MW355.31 g/mol
LogP2.40
Rot. Bonds4

About 4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide

4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 176509093) has the molecular formula C17H13N3O6 and a molecular weight of 355.31 g/mol. Its IUPAC name is 4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide
PubChem CID176509093
Molecular FormulaC17H13N3O6
Molecular Weight355.31 g/mol
Exact Mass355.08
IUPAC Name4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(O)c3cc([N+](=O)[O-])ccc3[nH]c2=O)cc1
InChIInChI=1S/C17H13N3O6/c1-26-11-5-2-9(3-6-11)18-16(22)14-15(21)12-8-10(20(24)25)4-7-13(12)19-17(14)23/h2-8H,1H3,(H,18,22)(H2,19,21,23)
InChIKeyRSKWQDZOSWCSMG-UHFFFAOYSA-N
XLogP2.40
TPSA134.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-[(3-hydroxy-5-nitro-1H-indol-2-yl)imino]-3-(4-methoxyphenyl)thiourea
CID 173009183
2-methyl-N-(4-methylphenyl)-5-nitro-1H-indole-3-carboxamide
CID 135016971
methyl 4-amino-6-nitro-2-oxo-1H-quinoline-3-carboxylate
CID 14663488
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide
CID 23770327
2-iodo-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 60619486
4-hydroxy-3,6-dinitro-1H-quinolin-2-one
CID 54696471
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-6-nitro-4-phenyl-1H-quinolin-2-one
CID 6175110
4-(hydroxymethyl)-N-(4-methoxyphenyl)-6-methylsulfanyl-2-oxo-1H-quinoline-3-carboxamide
CID 123602296
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide (CID 176509093) is 4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide is COc1ccc(NC(=O)c2c(O)c3cc([N+](=O)[O-])ccc3[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is RSKWQDZOSWCSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O6/c1-26-11-5-2-9(3-6-11)18-16(22)14-15(21)12-8-10(20(24)25)4-7-13(12)19-17(14)23/h2-8H,1H3,(H,18,22)(H2,19,21,23).
What are the key properties of 4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide?
4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 355.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 176509093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).