1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid

C14H14FNO3 — CID 82246534

IUPAC1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
SMILESCCCCn1c(C(=O)O)cc(=O)c2cccc(F)c21
InChIInChI=1S/C14H14FNO3/c1-2-3-7-16-11(14(18)19)8-12(17)9-5-4-6-10(15)13(9)16/h4-6,8H,2-3,7H2,1H3,(H,18,19)
InChIKeyYUELZHJPXLDPIN-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.64
Rot. Bonds4

About 1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid

1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid (PubChem CID 82246534) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
PubChem CID82246534
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid
SMILESCCCCn1c(C(=O)O)cc(=O)c2cccc(F)c21
InChIInChI=1S/C14H14FNO3/c1-2-3-7-16-11(14(18)19)8-12(17)9-5-4-6-10(15)13(9)16/h4-6,8H,2-3,7H2,1H3,(H,18,19)
InChIKeyYUELZHJPXLDPIN-UHFFFAOYSA-N
XLogP2.64
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid (CID 82246534) is 1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid is CCCCn1c(C(=O)O)cc(=O)c2cccc(F)c21.
What is the InChIKey of 1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid?
The InChIKey is YUELZHJPXLDPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-2-3-7-16-11(14(18)19)8-12(17)9-5-4-6-10(15)13(9)16/h4-6,8H,2-3,7H2,1H3,(H,18,19).
What are the key properties of 1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid?
1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-8-fluoro-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82246534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).