3-(7-fluoro-2-oxoquinolin-1-yl)propanamide

C12H11FN2O2 — CID 118936294

IUPAC3-(7-fluoro-2-oxoquinolin-1-yl)propanamide
SMILESNC(=O)CCn1c(=O)ccc2ccc(F)cc21
InChIInChI=1S/C12H11FN2O2/c13-9-3-1-8-2-4-12(17)15(10(8)7-9)6-5-11(14)16/h1-4,7H,5-6H2,(H2,14,16)
InChIKeyOANRQQDGKXPGOB-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.02
Rot. Bonds3

About 3-(7-fluoro-2-oxoquinolin-1-yl)propanamide

3-(7-fluoro-2-oxoquinolin-1-yl)propanamide (PubChem CID 118936294) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 3-(7-fluoro-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound Name3-(7-fluoro-2-oxoquinolin-1-yl)propanamide
PubChem CID118936294
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name3-(7-fluoro-2-oxoquinolin-1-yl)propanamide
SMILESNC(=O)CCn1c(=O)ccc2ccc(F)cc21
InChIInChI=1S/C12H11FN2O2/c13-9-3-1-8-2-4-12(17)15(10(8)7-9)6-5-11(14)16/h1-4,7H,5-6H2,(H2,14,16)
InChIKeyOANRQQDGKXPGOB-UHFFFAOYSA-N
XLogP1.02
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of 3-(7-fluoro-2-oxoquinolin-1-yl)propanamide (CID 118936294) is 3-(7-fluoro-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for 3-(7-fluoro-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for 3-(7-fluoro-2-oxoquinolin-1-yl)propanamide is NC(=O)CCn1c(=O)ccc2ccc(F)cc21.
What is the InChIKey of 3-(7-fluoro-2-oxoquinolin-1-yl)propanamide?
The InChIKey is OANRQQDGKXPGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-9-3-1-8-2-4-12(17)15(10(8)7-9)6-5-11(14)16/h1-4,7H,5-6H2,(H2,14,16).
What are the key properties of 3-(7-fluoro-2-oxoquinolin-1-yl)propanamide?
3-(7-fluoro-2-oxoquinolin-1-yl)propanamide has a molecular weight of 234.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 118936294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).