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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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).