5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid

C15H16N2O3 — CID 82212870

IUPAC5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
SMILESNc1cccc2c1c(=O)c(C(=O)O)cn2C1CCCC1
InChIInChI=1S/C15H16N2O3/c16-11-6-3-7-12-13(11)14(18)10(15(19)20)8-17(12)9-4-1-2-5-9/h3,6-9H,1-2,4-5,16H2,(H,19,20)
InChIKeyJYWLDWSHOJMDEK-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.40
Rot. Bonds2

About 5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid

5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 82212870) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
PubChem CID82212870
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
SMILESNc1cccc2c1c(=O)c(C(=O)O)cn2C1CCCC1
InChIInChI=1S/C15H16N2O3/c16-11-6-3-7-12-13(11)14(18)10(15(19)20)8-17(12)9-4-1-2-5-9/h3,6-9H,1-2,4-5,16H2,(H,19,20)
InChIKeyJYWLDWSHOJMDEK-UHFFFAOYSA-N
XLogP2.40
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212585
5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide
CID 94947062
1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 22154155
5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
CID 82212580
5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212696
1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid
CID 70458154
3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
CID 82212699
5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212683
1-cyclopropyl-4-methylindole-3-carboxylic acid
CID 115029078
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339
1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid
CID 19081655

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid (CID 82212870) is 5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid is Nc1cccc2c1c(=O)c(C(=O)O)cn2C1CCCC1.
What is the InChIKey of 5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is JYWLDWSHOJMDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-11-6-3-7-12-13(11)14(18)10(15(19)20)8-17(12)9-4-1-2-5-9/h3,6-9H,1-2,4-5,16H2,(H,19,20).
What are the key properties of 5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid?
5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 82212870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).