3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid

C15H15F2NO3 — CID 82251464

IUPAC3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
SMILESCCn1c(C)c(CCC(=O)O)c(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C15H15F2NO3/c1-3-18-8(2)9(4-7-12(19)20)15(21)13-10(16)5-6-11(17)14(13)18/h5-6H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyMFXVDRUQVNFJAN-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.63
Rot. Bonds4

About 3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid

3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid (PubChem CID 82251464) has the molecular formula C15H15F2NO3 and a molecular weight of 295.28 g/mol. Its IUPAC name is 3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
PubChem CID82251464
Molecular FormulaC15H15F2NO3
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
SMILESCCn1c(C)c(CCC(=O)O)c(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C15H15F2NO3/c1-3-18-8(2)9(4-7-12(19)20)15(21)13-10(16)5-6-11(17)14(13)18/h5-6H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyMFXVDRUQVNFJAN-UHFFFAOYSA-N
XLogP2.63
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248609
3-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)propanoic acid
CID 82252626
2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid
CID 82251467
3-(1-cyclopropyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82250422
3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16796125
3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248917
3-(6-chloro-2,3-difluorophenyl)propanoic acid
CID 127018913
3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid
CID 84668059
3-(1-cyclopropyl-6,7,8-trifluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82240235
3-(5-chloro-8-methoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)propanoic acid
CID 82240505
2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82250902
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The IUPAC name of 3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid (CID 82251464) is 3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The canonical SMILES for 3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid is CCn1c(C)c(CCC(=O)O)c(=O)c2c(F)ccc(F)c21.
What is the InChIKey of 3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The InChIKey is MFXVDRUQVNFJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c1-3-18-8(2)9(4-7-12(19)20)15(21)13-10(16)5-6-11(17)14(13)18/h5-6H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid has a molecular weight of 295.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid is sourced from PubChem (CID 82251464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).