7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid

C15H15ClFNO3 — CID 70388176

IUPAC7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid
SMILESCCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21
InChIInChI=1S/C15H15ClFNO3/c1-2-3-4-5-18-8-10(15(20)21)14(19)9-6-12(17)11(16)7-13(9)18/h6-8H,2-5H2,1H3,(H,20,21)
InChIKeyWCVZLHADAWVVTO-UHFFFAOYSA-N
MW311.74 g/mol
LogP3.68
Rot. Bonds5

About 7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid

7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid (PubChem CID 70388176) has the molecular formula C15H15ClFNO3 and a molecular weight of 311.74 g/mol. Its IUPAC name is 7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid
PubChem CID70388176
Molecular FormulaC15H15ClFNO3
Molecular Weight311.74 g/mol
Exact Mass311.07
IUPAC Name7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid
SMILESCCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21
InChIInChI=1S/C15H15ClFNO3/c1-2-3-4-5-18-8-10(15(20)21)14(19)9-6-12(17)11(16)7-13(9)18/h6-8H,2-5H2,1H3,(H,20,21)
InChIKeyWCVZLHADAWVVTO-UHFFFAOYSA-N
XLogP3.68
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-oxo-1-pentylquinoline-3-carboxylic acid
CID 23635151
5-octyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 142567545
1-butan-2-yl-7-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 143297468
1-octyl-4-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid
CID 142567534
1-butyl-6-[(3-chloro-2-fluorophenyl)methyl]-7-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid
CID 142898775
7-chloro-6-fluoro-4-oxo-1-(2,2,3,3-tetramethylaziridin-1-yl)quinoline-3-carboxylic acid
CID 139640784
6-fluoro-7-(4-hydroxypiperazin-1-yl)-4-oxo-1-propylquinoline-3-carboxylic acid
CID 70438217
1-ethyl-6-fluoro-7-(hydroxyamino)-4-oxoquinoline-3-carboxylic acid
CID 14148324
1-ethyl-6-fluoro-7-(4-hexanoylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 4523002
1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840
6,7-difluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771935
6,8-difluoro-4-oxo-7-piperazin-1-yl-1-tetradecylquinoline-3-carboxylic acid
CID 56696331

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid (CID 70388176) is 7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid is CCCCCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21.
What is the InChIKey of 7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid?
The InChIKey is WCVZLHADAWVVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3/c1-2-3-4-5-18-8-10(15(20)21)14(19)9-6-12(17)11(16)7-13(9)18/h6-8H,2-5H2,1H3,(H,20,21).
What are the key properties of 7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid?
7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid has a molecular weight of 311.74 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid is sourced from PubChem (CID 70388176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).