3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid

C15H16FNO3 — CID 82248609

IUPAC3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
SMILESCCn1c(C)c(CCC(=O)O)c(=O)c2cccc(F)c21
InChIInChI=1S/C15H16FNO3/c1-3-17-9(2)10(7-8-13(18)19)15(20)11-5-4-6-12(16)14(11)17/h4-6H,3,7-8H2,1-2H3,(H,18,19)
InChIKeyZSMXXCWLZHVFCB-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.49
Rot. Bonds4

About 3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid

3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid (PubChem CID 82248609) has the molecular formula C15H16FNO3 and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
PubChem CID82248609
Molecular FormulaC15H16FNO3
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
SMILESCCn1c(C)c(CCC(=O)O)c(=O)c2cccc(F)c21
InChIInChI=1S/C15H16FNO3/c1-3-17-9(2)10(7-8-13(18)19)15(20)11-5-4-6-12(16)14(11)17/h4-6H,3,7-8H2,1-2H3,(H,18,19)
InChIKeyZSMXXCWLZHVFCB-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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Related Compounds

3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82251464
3-(1-cyclopropyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82250422
2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82250902
3-(8-chloro-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82252563
3-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)propanoic acid
CID 82252626
(E)-3-(2-chloro-1-ethyl-7-fluoroindol-3-yl)-2-methylprop-2-enoic acid
CID 82269262
3-(1-cyclopropyl-6,7,8-trifluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82240235
3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248917
3-(1,2-dimethyl-7-methylsulfanylindol-3-yl)propanoic acid
CID 126584285
ethyl 3-[1,3-bis(2-ethoxy-2-oxoethyl)-7-fluoroindol-2-yl]propanoate
CID 145226825
ethyl 2-(1-ethyl-7-fluoro-3-methylindol-2-yl)-2-oxoacetate
CID 115072826
3-(7-chloro-1-ethylindol-3-yl)propanoic acid
CID 117197744

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The IUPAC name of 3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid (CID 82248609) is 3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The canonical SMILES for 3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid is CCn1c(C)c(CCC(=O)O)c(=O)c2cccc(F)c21.
What is the InChIKey of 3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The InChIKey is ZSMXXCWLZHVFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-3-17-9(2)10(7-8-13(18)19)15(20)11-5-4-6-12(16)14(11)17/h4-6H,3,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
3-(1-ethyl-8-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-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid is sourced from PubChem (CID 82248609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).