2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid

C18H13F2NO3 — CID 45274855

IUPAC2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid
SMILESO=C(O)Cc1cn(Cc2ccccc2F)c2ccc(F)cc2c1=O
InChIInChI=1S/C18H13F2NO3/c19-13-5-6-16-14(8-13)18(24)12(7-17(22)23)10-21(16)9-11-3-1-2-4-15(11)20/h1-6,8,10H,7,9H2,(H,22,23)
InChIKeyHIZIVQAOKUWJKR-UHFFFAOYSA-N
MW329.30 g/mol
LogP2.96
Rot. Bonds4

About 2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid

2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid (PubChem CID 45274855) has the molecular formula C18H13F2NO3 and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid
PubChem CID45274855
Molecular FormulaC18H13F2NO3
Molecular Weight329.30 g/mol
Exact Mass329.09
IUPAC Name2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid
SMILESO=C(O)Cc1cn(Cc2ccccc2F)c2ccc(F)cc2c1=O
InChIInChI=1S/C18H13F2NO3/c19-13-5-6-16-14(8-13)18(24)12(7-17(22)23)10-21(16)9-11-3-1-2-4-15(11)20/h1-6,8,10H,7,9H2,(H,22,23)
InChIKeyHIZIVQAOKUWJKR-UHFFFAOYSA-N
XLogP2.96
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[4-(aminomethyl)phenyl]methyl]-6-fluoro-4-oxoquinolin-3-yl]acetic acid
CID 174604292
1-[(2,5-difluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771887
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanoic acid
CID 53212403
2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid
CID 45275194
8-fluoro-3-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2135550
2-[5-fluoro-3-[[1-[(2-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetic acid
CID 52919156
6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
CID 94674833
4-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyldiazenyl]benzoic acid
CID 91898178
[2-chloro-5-fluoro-1-[(2-fluorophenyl)methyl]indol-3-yl]methanol
CID 82268825
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
CID 4655393
5-bromo-1-[(2-fluorophenyl)methyl]indole-3-carbaldehyde
CID 2060019
3-(4-ethylbenzoyl)-1-[(2-fluorophenyl)methyl]-6,7-dimethoxyquinolin-4-one
CID 2136830

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid (CID 45274855) is 2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid is O=C(O)Cc1cn(Cc2ccccc2F)c2ccc(F)cc2c1=O.
What is the InChIKey of 2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid?
The InChIKey is HIZIVQAOKUWJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO3/c19-13-5-6-16-14(8-13)18(24)12(7-17(22)23)10-21(16)9-11-3-1-2-4-15(11)20/h1-6,8,10H,7,9H2,(H,22,23).
What are the key properties of 2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid?
2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid has a molecular weight of 329.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid is sourced from PubChem (CID 45274855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).