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

C13H11NO4 — CID 22154155

IUPAC1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2cccc(O)c2c1=O
InChIInChI=1S/C13H11NO4/c15-10-3-1-2-9-11(10)12(16)8(13(17)18)6-14(9)7-4-5-7/h1-3,6-7,15H,4-5H2,(H,17,18)
InChIKeyRETZHWIHLNJGFR-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.74
Rot. Bonds2

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

1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 22154155) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid
PubChem CID22154155
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2cccc(O)c2c1=O
InChIInChI=1S/C13H11NO4/c15-10-3-1-2-9-11(10)12(16)8(13(17)18)6-14(9)7-4-5-7/h1-3,6-7,15H,4-5H2,(H,17,18)
InChIKeyRETZHWIHLNJGFR-UHFFFAOYSA-N
XLogP1.74
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid
CID 70458154
5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
CID 82212870
1-cyclopropyl-4-methylindole-3-carboxylic acid
CID 115029078
5-chloro-1-cyclopropyl-6,7-dihydroxy-4-oxoquinoline-3-carboxylic acid
CID 86732837
5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212696
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
CID 82212699
5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212585
8-cyano-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 19776635
5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide
CID 94947062
1-cyclopropyl-5,6-difluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14880213
5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212683

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid (CID 22154155) is 1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2cccc(O)c2c1=O.
What is the InChIKey of 1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is RETZHWIHLNJGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-10-3-1-2-9-11(10)12(16)8(13(17)18)6-14(9)7-4-5-7/h1-3,6-7,15H,4-5H2,(H,17,18).
What are the key properties of 1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 22154155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).