methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate

C18H13F2NO2 — CID 67961008

IUPACmethyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(C)c(-c3ccc(F)cc3F)c2c1
InChIInChI=1S/C18H13F2NO2/c1-10-9-21-16-6-3-11(18(22)23-2)7-14(16)17(10)13-5-4-12(19)8-15(13)20/h3-9H,1-2H3
InChIKeyJDAOQLFFEALZMX-UHFFFAOYSA-N
MW313.30 g/mol
LogP4.28
Rot. Bonds2

About methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate

methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate (PubChem CID 67961008) has the molecular formula C18H13F2NO2 and a molecular weight of 313.30 g/mol. Its IUPAC name is methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate
PubChem CID67961008
Molecular FormulaC18H13F2NO2
Molecular Weight313.30 g/mol
Exact Mass313.09
IUPAC Namemethyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(C)c(-c3ccc(F)cc3F)c2c1
InChIInChI=1S/C18H13F2NO2/c1-10-9-21-16-6-3-11(18(22)23-2)7-14(16)17(10)13-5-4-12(19)8-15(13)20/h3-9H,1-2H3
InChIKeyJDAOQLFFEALZMX-UHFFFAOYSA-N
XLogP4.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
methyl 4-fluoro-1-(2-fluoro-4-methoxyphenyl)isoquinoline-7-carboxylate
CID 67961573
methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate
CID 67961079
4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid
CID 67961044
methyl 3-[(6-fluoroquinolin-4-yl)amino]-4-methylbenzoate
CID 157042958
methyl 5-(2,4-difluorophenyl)pyridine-3-carboxylate
CID 71304424
methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
CID 67960959
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
methyl 3-[[6-(2,4-difluorophenyl)-2-pyridinyl]amino]-4-methylbenzoate
CID 67772794
6-fluoro-4-(4-methoxyphenyl)-3-methylquinoline
CID 122371652
methyl 1-(4-chloro-2-methoxyphenyl)-4-fluoroisoquinoline-7-carboxylate
CID 67961990
methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate
CID 67961180

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate?
The IUPAC name of methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate (CID 67961008) is methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate.
What is the SMILES notation for methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate?
The canonical SMILES for methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate is COC(=O)c1ccc2ncc(C)c(-c3ccc(F)cc3F)c2c1.
What is the InChIKey of methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate?
The InChIKey is JDAOQLFFEALZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO2/c1-10-9-21-16-6-3-11(18(22)23-2)7-14(16)17(10)13-5-4-12(19)8-15(13)20/h3-9H,1-2H3.
What are the key properties of methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate?
methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate has a molecular weight of 313.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,4-difluorophenyl)-3-methylquinoline-6-carboxylate is sourced from PubChem (CID 67961008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).