[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate

C20H15ClFNO4 — CID 46509531

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1cc2cc(Cl)ccc2nc1C
InChIInChI=1S/C20H15ClFNO4/c1-11-15(8-12-7-13(21)3-5-17(12)23-11)20(25)27-10-18(24)16-9-14(22)4-6-19(16)26-2/h3-9H,10H2,1-2H3
InChIKeySDCUGMMDFGYFGP-UHFFFAOYSA-N
MW387.79 g/mol
LogP4.38
Rot. Bonds5

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate (PubChem CID 46509531) has the molecular formula C20H15ClFNO4 and a molecular weight of 387.79 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
PubChem CID46509531
Molecular FormulaC20H15ClFNO4
Molecular Weight387.79 g/mol
Exact Mass387.07
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1cc2cc(Cl)ccc2nc1C
InChIInChI=1S/C20H15ClFNO4/c1-11-15(8-12-7-13(21)3-5-17(12)23-11)20(25)27-10-18(24)16-9-14(22)4-6-19(16)26-2/h3-9H,10H2,1-2H3
InChIKeySDCUGMMDFGYFGP-UHFFFAOYSA-N
XLogP4.38
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 6-chloro-2-methylquinoline-3-carboxylate
CID 46676127
[2-(2,4-difluorophenyl)-2-oxoethyl] 7-fluoro-2-methylquinoline-3-carboxylate
CID 24572580
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 8646530
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840385
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18145228
[2-(3-methylbutylamino)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate
CID 46676349
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7887065
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate
CID 7235698
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-3-carboxamide
CID 55474879

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate (CID 46509531) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate is COc1ccc(F)cc1C(=O)COC(=O)c1cc2cc(Cl)ccc2nc1C.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate?
The InChIKey is SDCUGMMDFGYFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO4/c1-11-15(8-12-7-13(21)3-5-17(12)23-11)20(25)27-10-18(24)16-9-14(22)4-6-19(16)26-2/h3-9H,10H2,1-2H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate has a molecular weight of 387.79 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-chloro-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 46509531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).