methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate

C18H15FN2O3 — CID 53113277

IUPACmethyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2OC)c2cc(F)ccc2n1
InChIInChI=1S/C18H15FN2O3/c1-23-17-6-4-3-5-14(17)21-15-10-16(18(22)24-2)20-13-8-7-11(19)9-12(13)15/h3-10H,1-2H3,(H,20,21)
InChIKeyONOSNOOSWRIYGZ-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.91
Rot. Bonds4

About methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate

methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate (PubChem CID 53113277) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
PubChem CID53113277
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Namemethyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2OC)c2cc(F)ccc2n1
InChIInChI=1S/C18H15FN2O3/c1-23-17-6-4-3-5-14(17)21-15-10-16(18(22)24-2)20-13-8-7-11(19)9-12(13)15/h3-10H,1-2H3,(H,20,21)
InChIKeyONOSNOOSWRIYGZ-UHFFFAOYSA-N
XLogP3.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237
methyl 4-(2-bromo-4-methylanilino)-6-fluoroquinoline-2-carboxylate
CID 53113296
methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate
CID 53113268
methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate
CID 45499064
methyl 6-fluoro-4-(3-phenoxypropoxy)quinoline-2-carboxylate
CID 11462395
methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
CID 53113123
methyl 4-(2-chloroethoxy)-6-fluoroquinoline-2-carboxylate
CID 11482982
methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate
CID 53113265
methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
CID 53113257
methyl 4-(2-chloroanilino)-6-ethoxyquinoline-2-carboxylate
CID 53002401
methyl 4-(4-bromoanilino)quinoline-2-carboxylate
CID 45499074

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate?
The IUPAC name of methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate (CID 53113277) is methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate is COC(=O)c1cc(Nc2ccccc2OC)c2cc(F)ccc2n1.
What is the InChIKey of methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate?
The InChIKey is ONOSNOOSWRIYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-23-17-6-4-3-5-14(17)21-15-10-16(18(22)24-2)20-13-8-7-11(19)9-12(13)15/h3-10H,1-2H3,(H,20,21).
What are the key properties of methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate?
methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate has a molecular weight of 326.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate is sourced from PubChem (CID 53113277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).