5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid

C15H15N3O6 — CID 119235210

IUPAC5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H15N3O6/c19-13-8-11(15(22)16-6-2-1-3-14(20)21)10-7-9(18(23)24)4-5-12(10)17-13/h4-5,7-8H,1-3,6H2,(H,16,22)(H,17,19)(H,20,21)
InChIKeyWYZHMNVCADLTLE-UHFFFAOYSA-N
MW333.30 g/mol
LogP1.42
Rot. Bonds7

About 5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid

5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid (PubChem CID 119235210) has the molecular formula C15H15N3O6 and a molecular weight of 333.30 g/mol. Its IUPAC name is 5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid
PubChem CID119235210
Molecular FormulaC15H15N3O6
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C15H15N3O6/c19-13-8-11(15(22)16-6-2-1-3-14(20)21)10-7-9(18(23)24)4-5-12(10)17-13/h4-5,7-8H,1-3,6H2,(H,16,22)(H,17,19)(H,20,21)
InChIKeyWYZHMNVCADLTLE-UHFFFAOYSA-N
XLogP1.42
TPSA142.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(5-nitro-1H-indole-3-carbonyl)amino]hexanoic acid
CID 119220047
6-[(2-iodo-5-nitrobenzoyl)amino]hexanoic acid
CID 103790827
3-[2-methylpropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 119190683
N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 120651419
5-[(2-methoxy-4-nitrobenzoyl)amino]pentanoic acid
CID 104783294
N-(6-amino-6-oxohexyl)-2,5-dinitrobenzamide
CID 91055481
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 86968318
N-(6-hydroxyhexyl)-2-iodo-5-nitrobenzamide
CID 103919166
2-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547522
7-[(3-methyl-5-nitrobenzoyl)amino]heptanoic acid
CID 119350687
2-[cyclopropyl-(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 119203411
6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid
CID 120522577

Frequently Asked Questions

What is the IUPAC name of 5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid (CID 119235210) is 5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid?
The InChIKey is WYZHMNVCADLTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6/c19-13-8-11(15(22)16-6-2-1-3-14(20)21)10-7-9(18(23)24)4-5-12(10)17-13/h4-5,7-8H,1-3,6H2,(H,16,22)(H,17,19)(H,20,21).
What are the key properties of 5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid?
5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid has a molecular weight of 333.30 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-nitro-2-oxo-1H-quinoline-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119235210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).