2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid

C15H15F2NO3 — CID 82251467

IUPAC2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c(=O)c2c(F)ccc(F)c2n1C(C)C
InChIInChI=1S/C15H15F2NO3/c1-7(2)18-8(3)9(6-12(19)20)15(21)13-10(16)4-5-11(17)14(13)18/h4-5,7H,6H2,1-3H3,(H,19,20)
InChIKeyIAVCRXTUUNRLLO-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.80
Rot. Bonds3

About 2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid

2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid (PubChem CID 82251467) has the molecular formula C15H15F2NO3 and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid
PubChem CID82251467
Molecular FormulaC15H15F2NO3
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c(=O)c2c(F)ccc(F)c2n1C(C)C
InChIInChI=1S/C15H15F2NO3/c1-7(2)18-8(3)9(6-12(19)20)15(21)13-10(16)4-5-11(17)14(13)18/h4-5,7H,6H2,1-3H3,(H,19,20)
InChIKeyIAVCRXTUUNRLLO-UHFFFAOYSA-N
XLogP2.80
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)propanoic acid
CID 82252626
3-(1-ethyl-5,8-difluoro-2-methyl-4-oxoquinolin-3-yl)propanoic acid
CID 82251464
2-(6,8-dimethoxy-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid
CID 82240093
2-(1-butan-2-yl-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82247809
2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82250902
3-[6-(carboxymethyl)-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl]propanoic acid
CID 82240388
2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
CID 84668066
2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
CID 117310716
2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid
CID 82251876
3-(2-aminoethyl)-2,6-dimethyl-1-propan-2-ylindole-7-carboxylic acid
CID 83964746
2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82248913

Frequently Asked Questions

What is the IUPAC name of 2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid?
The IUPAC name of 2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid (CID 82251467) is 2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid is Cc1c(CC(=O)O)c(=O)c2c(F)ccc(F)c2n1C(C)C.
What is the InChIKey of 2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid?
The InChIKey is IAVCRXTUUNRLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c1-7(2)18-8(3)9(6-12(19)20)15(21)13-10(16)4-5-11(17)14(13)18/h4-5,7H,6H2,1-3H3,(H,19,20).
What are the key properties of 2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid?
2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid has a molecular weight of 295.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-difluoro-2-methyl-4-oxo-1-propan-2-ylquinolin-3-yl)acetic acid is sourced from PubChem (CID 82251467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).