3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid

C15H16FNO3 — CID 82248611

IUPAC3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
SMILESCCn1c(C)c(CCC(=O)O)c(=O)c2ccc(F)cc21
InChIInChI=1S/C15H16FNO3/c1-3-17-9(2)11(6-7-14(18)19)15(20)12-5-4-10(16)8-13(12)17/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyCGGXXGZERKIZFZ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.49
Rot. Bonds4

About 3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid

3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid (PubChem CID 82248611) has the molecular formula C15H16FNO3 and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
PubChem CID82248611
Molecular FormulaC15H16FNO3
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
SMILESCCn1c(C)c(CCC(=O)O)c(=O)c2ccc(F)cc21
InChIInChI=1S/C15H16FNO3/c1-3-17-9(2)11(6-7-14(18)19)15(20)12-5-4-10(16)8-13(12)17/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyCGGXXGZERKIZFZ-UHFFFAOYSA-N
XLogP2.49
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The IUPAC name of 3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid (CID 82248611) is 3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The canonical SMILES for 3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid is CCn1c(C)c(CCC(=O)O)c(=O)c2ccc(F)cc21.
What is the InChIKey of 3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The InChIKey is CGGXXGZERKIZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-3-17-9(2)11(6-7-14(18)19)15(20)12-5-4-10(16)8-13(12)17/h4-5,8H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid has a molecular weight of 277.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-7-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid is sourced from PubChem (CID 82248611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).