[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate

C19H14FNO3 — CID 8675808

IUPAC[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)c2cccc(F)c2)c2ccccc2n1
InChIInChI=1S/C19H14FNO3/c1-12-9-16(15-7-2-3-8-17(15)21-12)19(23)24-11-18(22)13-5-4-6-14(20)10-13/h2-10H,11H2,1H3
InChIKeyHNZMNLUQPJFVDO-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.72
Rot. Bonds4

About [2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 8675808) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID8675808
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)c2cccc(F)c2)c2ccccc2n1
InChIInChI=1S/C19H14FNO3/c1-12-9-16(15-7-2-3-8-17(15)21-12)19(23)24-11-18(22)13-5-4-6-14(20)10-13/h2-10H,11H2,1H3
InChIKeyHNZMNLUQPJFVDO-UHFFFAOYSA-N
XLogP3.72
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484413
[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 882322
3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid
CID 23913779
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3353845
benzyl 2-methylquinoline-4-carboxylate
CID 804130
[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 8666926
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089509
[2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8677319
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 2083757
(3,5-difluorophenyl)-(2-methylquinolin-4-yl)methanone
CID 105095171
[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 8676222

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 8675808) is [2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)c2cccc(F)c2)c2ccccc2n1.
What is the InChIKey of [2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is HNZMNLUQPJFVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-12-9-16(15-7-2-3-8-17(15)21-12)19(23)24-11-18(22)13-5-4-6-14(20)10-13/h2-10H,11H2,1H3.
What are the key properties of [2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 323.32 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 8675808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).