N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide

C16H17N3O4 — CID 171343179

IUPACN-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide
SMILESO=C(NC1CCCCC1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C16H17N3O4/c20-15-12(16(21)18-10-5-2-1-3-6-10)9-13(19(22)23)11-7-4-8-17-14(11)15/h4,7-10,20H,1-3,5-6H2,(H,18,21)
InChIKeyUVXFPDZPWMJYPJ-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.91
Rot. Bonds3

About N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide

N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide (PubChem CID 171343179) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide
PubChem CID171343179
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide
SMILESO=C(NC1CCCCC1)c1cc([N+](=O)[O-])c2cccnc2c1O
InChIInChI=1S/C16H17N3O4/c20-15-12(16(21)18-10-5-2-1-3-6-10)9-13(19(22)23)11-7-4-8-17-14(11)15/h4,7-10,20H,1-3,5-6H2,(H,18,21)
InChIKeyUVXFPDZPWMJYPJ-UHFFFAOYSA-N
XLogP2.91
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.91
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

N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23987661
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
7-bromo-5-nitroquinolin-8-ol
CID 14125599
1-cyclobutyl-3-[(8-hydroxy-5-nitroquinolin-7-yl)-(4-methoxyphenyl)methyl]urea
CID 171504695
2-chloro-N-cyclooctyl-3-nitrobenzamide
CID 115930862
N-[(R)-(8-hydroxy-5-nitroquinolin-7-yl)-(2-methoxyphenyl)methyl]cyclohexanecarboxamide
CID 1320053
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
2-chloro-N-cyclopentyl-5-nitropyridine-4-carboxamide
CID 103730768
N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide
CID 133287702
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
4-chloro-2-(cyclohexylcarbamoyl)-6-nitrophenolate
CID 7038580

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide?
The IUPAC name of N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide (CID 171343179) is N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide?
The canonical SMILES for N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide is O=C(NC1CCCCC1)c1cc([N+](=O)[O-])c2cccnc2c1O.
What is the InChIKey of N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide?
The InChIKey is UVXFPDZPWMJYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15-12(16(21)18-10-5-2-1-3-6-10)9-13(19(22)23)11-7-4-8-17-14(11)15/h4,7-10,20H,1-3,5-6H2,(H,18,21).
What are the key properties of N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide?
N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide is sourced from PubChem (CID 171343179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).