1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid

C13H10N2O5 — CID 70458154

IUPAC1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2cccc([N+](=O)[O-])c2c1=O
InChIInChI=1S/C13H10N2O5/c16-12-8(13(17)18)6-14(7-4-5-7)9-2-1-3-10(11(9)12)15(19)20/h1-3,6-7H,4-5H2,(H,17,18)
InChIKeyNWXIFEIWKSUTLL-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.94
Rot. Bonds3

About 1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid (PubChem CID 70458154) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid
PubChem CID70458154
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2cccc([N+](=O)[O-])c2c1=O
InChIInChI=1S/C13H10N2O5/c16-12-8(13(17)18)6-14(7-4-5-7)9-2-1-3-10(11(9)12)15(19)20/h1-3,6-7H,4-5H2,(H,17,18)
InChIKeyNWXIFEIWKSUTLL-UHFFFAOYSA-N
XLogP1.94
TPSA102.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
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

1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 22154155
5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
CID 82212870
1-cyclopropyl-4-methylindole-3-carboxylic acid
CID 115029078
1-cyclopropyl-6,7-dimethoxy-5-nitro-4-oxoquinoline-3-carboxylic acid
CID 86732834
5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212696
1-cyclopropyl-6,7-difluoro-5-methyl-8-nitro-4-oxoquinoline-3-carboxylic acid
CID 23364523
7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylic acid
CID 10092266
5-chloro-1-cyclopropyl-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
CID 86732837
7-cyclopropyl-2-(4-methylpiperazin-1-yl)-3-nitro-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 15382782
3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
CID 82212699
1-cyclopropyl-7-(3-methylpiperazin-4-ium-1-yl)-6-nitro-4-oxoquinoline-3-carboxylic acid chloride
CID 44657302
5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212585

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid (CID 70458154) is 1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2cccc([N+](=O)[O-])c2c1=O.
What is the InChIKey of 1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is NWXIFEIWKSUTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-12-8(13(17)18)6-14(7-4-5-7)9-2-1-3-10(11(9)12)15(19)20/h1-3,6-7H,4-5H2,(H,17,18).
What are the key properties of 1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 70458154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).