[6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate

C19H17F2NO3 — CID 90864804

IUPAC[6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate
SMILESCCCC(=O)OC1Cc2cc(-c3ccc(F)c(F)c3)ccc2NC1=O
InChIInChI=1S/C19H17F2NO3/c1-2-3-18(23)25-17-10-13-8-11(5-7-16(13)22-19(17)24)12-4-6-14(20)15(21)9-12/h4-9,17H,2-3,10H2,1H3,(H,22,24)
InChIKeyGPCCMHLQEHDJPG-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.84
Rot. Bonds4

About [6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate

[6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate (PubChem CID 90864804) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is [6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate.

Molecular Properties

Compound Name[6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate
PubChem CID90864804
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name[6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate
SMILESCCCC(=O)OC1Cc2cc(-c3ccc(F)c(F)c3)ccc2NC1=O
InChIInChI=1S/C19H17F2NO3/c1-2-3-18(23)25-17-10-13-8-11(5-7-16(13)22-19(17)24)12-4-6-14(20)15(21)9-12/h4-9,17H,2-3,10H2,1H3,(H,22,24)
InChIKeyGPCCMHLQEHDJPG-UHFFFAOYSA-N
XLogP3.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate?
The IUPAC name of [6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate (CID 90864804) is [6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate.
What is the SMILES notation for [6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate?
The canonical SMILES for [6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate is CCCC(=O)OC1Cc2cc(-c3ccc(F)c(F)c3)ccc2NC1=O.
What is the InChIKey of [6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate?
The InChIKey is GPCCMHLQEHDJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c1-2-3-18(23)25-17-10-13-8-11(5-7-16(13)22-19(17)24)12-4-6-14(20)15(21)9-12/h4-9,17H,2-3,10H2,1H3,(H,22,24).
What are the key properties of [6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate?
[6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate has a molecular weight of 345.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-difluorophenyl)-2-oxo-3,4-dihydro-1H-quinolin-3-yl] butanoate is sourced from PubChem (CID 90864804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).