2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid

C19H15F2NO3 — CID 23614321

IUPAC2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(CCc2ccc(F)c(F)c2)cc(=O)c2ccccc21
InChIInChI=1S/C19H15F2NO3/c20-15-8-6-12(9-16(15)21)5-7-13-10-18(23)14-3-1-2-4-17(14)22(13)11-19(24)25/h1-4,6,8-10H,5,7,11H2,(H,24,25)
InChIKeyZRNSWJPARHHPEY-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.15
Rot. Bonds5

About 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid

2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid (PubChem CID 23614321) has the molecular formula C19H15F2NO3 and a molecular weight of 343.33 g/mol. Its IUPAC name is 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid
PubChem CID23614321
Molecular FormulaC19H15F2NO3
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC Name2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(CCc2ccc(F)c(F)c2)cc(=O)c2ccccc21
InChIInChI=1S/C19H15F2NO3/c20-15-8-6-12(9-16(15)21)5-7-13-10-18(23)14-3-1-2-4-17(14)22(13)11-19(24)25/h1-4,6,8-10H,5,7,11H2,(H,24,25)
InChIKeyZRNSWJPARHHPEY-UHFFFAOYSA-N
XLogP3.15
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cridanimod
CID 38072
1-Methyl-2-phenyl-4(1H)-quinolinone
CID 776143
Cridanimod Sodium
CID 23684339
4-[6-Fluoro-1-[(4-fluorophenyl)methyl]-4-oxoquinolin-3-yl]-2,4-dioxobutanoic acid
CID 68446170
1-Benzylquinolin-4(1H)-one
CID 13249183
1-(2-hydroxy-4-methyl-4-phenyl-2-(trifluoromethyl)pentyl)-1H-quinolin-4-one
CID 16099249
Methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate
CID 59846164
7-Fluoro-4-oxo-1,4-dihydroquinoline-2-carboxylic acid
CID 14842725
2-(4-Oxo-1,4-dihydroquinolin-1-yl)acetic acid
CID 22766108
4-Hydroxyquinoline-2-carboxylic acid hydrate
CID 18530299
1-Benzyl-2-methylquinolin-4-one
CID 895551
(2-Methyl-4-oxo-4H-quinolin-1-yl)-acetic acid ethyl ester
CID 950806

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid?
The IUPAC name of 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid (CID 23614321) is 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid is O=C(O)Cn1c(CCc2ccc(F)c(F)c2)cc(=O)c2ccccc21.
What is the InChIKey of 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid?
The InChIKey is ZRNSWJPARHHPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3/c20-15-8-6-12(9-16(15)21)5-7-13-10-18(23)14-3-1-2-4-17(14)22(13)11-19(24)25/h1-4,6,8-10H,5,7,11H2,(H,24,25).
What are the key properties of 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid?
2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid has a molecular weight of 343.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid is sourced from PubChem (CID 23614321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).