6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide

C11H9FN2O2 — CID 123472678

IUPAC6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(N)=O)cc2cc(F)ccc21
InChIInChI=1S/C11H9FN2O2/c1-14-9-3-2-7(12)4-6(9)5-8(10(13)15)11(14)16/h2-5H,1H3,(H2,13,15)
InChIKeyXKURBXKELYJBOL-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.78
Rot. Bonds1

About 6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide

6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 123472678) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID123472678
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(N)=O)cc2cc(F)ccc21
InChIInChI=1S/C11H9FN2O2/c1-14-9-3-2-7(12)4-6(9)5-8(10(13)15)11(14)16/h2-5H,1H3,(H2,13,15)
InChIKeyXKURBXKELYJBOL-UHFFFAOYSA-N
XLogP0.78
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide (CID 123472678) is 6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide is Cn1c(=O)c(C(N)=O)cc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is XKURBXKELYJBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-14-9-3-2-7(12)4-6(9)5-8(10(13)15)11(14)16/h2-5H,1H3,(H2,13,15).
What are the key properties of 6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide?
6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 220.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 123472678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).