N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide

C26H28N4O5 — CID 102367915

IUPACN-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(=O)c(O)c(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[nH]c2c1
InChIInChI=1S/C26H28N4O5/c31-24-19-10-8-17(26(33)27-18-6-2-3-7-18)14-20(19)28-23(25(24)32)16-9-11-21(22(15-16)30(34)35)29-12-4-1-5-13-29/h8-11,14-15,18,32H,1-7,12-13H2,(H,27,33)(H,28,31)
InChIKeyRUQBVQJYEWAWCR-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.47
Rot. Bonds5

About N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide

N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide (PubChem CID 102367915) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide
PubChem CID102367915
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC NameN-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(=O)c(O)c(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[nH]c2c1
InChIInChI=1S/C26H28N4O5/c31-24-19-10-8-17(26(33)27-18-6-2-3-7-18)14-20(19)28-23(25(24)32)16-9-11-21(22(15-16)30(34)35)29-12-4-1-5-13-29/h8-11,14-15,18,32H,1-7,12-13H2,(H,27,33)(H,28,31)
InChIKeyRUQBVQJYEWAWCR-UHFFFAOYSA-N
XLogP4.47
TPSA128.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.47
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

N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
N-[2-(cycloheptylamino)ethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 119619877
N-(1-ethylpiperidin-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30768197
1-[4-(cyclopropylcarbamoyl)-2-nitrophenyl]azetidine-3-carboxylic acid
CID 122064632
[2-(cyclohexylamino)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 4029710
N-[1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-4-yl]benzamide
CID 24587906
(2R)-1-[4-(cyclopropylcarbamoyl)-2-nitrophenyl]pyrrolidine-2-carboxylic acid
CID 120965117
N-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperidine-4-carboxamide
CID 110838730
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-nitro-4-piperidin-1-ylbenzoate
CID 7378878
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 42902111

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide?
The IUPAC name of N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide (CID 102367915) is N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide?
The canonical SMILES for N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide is O=C(NC1CCCC1)c1ccc2c(=O)c(O)c(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[nH]c2c1.
What is the InChIKey of N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide?
The InChIKey is RUQBVQJYEWAWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c31-24-19-10-8-17(26(33)27-18-6-2-3-7-18)14-20(19)28-23(25(24)32)16-9-11-21(22(15-16)30(34)35)29-12-4-1-5-13-29/h8-11,14-15,18,32H,1-7,12-13H2,(H,27,33)(H,28,31).
What are the key properties of N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide?
N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 4.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-hydroxy-2-(3-nitro-4-piperidin-1-ylphenyl)-4-oxo-1H-quinoline-7-carboxamide is sourced from PubChem (CID 102367915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).