8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid

C16H18FNO3 — CID 176988643

IUPAC8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCCC(C)(CC)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1F
InChIInChI=1S/C16H18FNO3/c1-4-16(3,5-2)11-7-6-9-8-10(15(20)21)14(19)18-13(9)12(11)17/h6-8H,4-5H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyFVRBBUMTUSFPCS-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.44
Rot. Bonds4

About 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid

8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 176988643) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID176988643
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCCC(C)(CC)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1F
InChIInChI=1S/C16H18FNO3/c1-4-16(3,5-2)11-7-6-9-8-10(15(20)21)14(19)18-13(9)12(11)17/h6-8H,4-5H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyFVRBBUMTUSFPCS-UHFFFAOYSA-N
XLogP3.44
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid (CID 176988643) is 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid is CCC(C)(CC)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1F.
What is the InChIKey of 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is FVRBBUMTUSFPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-4-16(3,5-2)11-7-6-9-8-10(15(20)21)14(19)18-13(9)12(11)17/h6-8H,4-5H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid?
8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 291.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 176988643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).