methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate

C19H17FN2O2 — CID 53113268

IUPACmethyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccc(F)cc2C)c2cc(C)ccc2n1
InChIInChI=1S/C19H17FN2O2/c1-11-4-6-16-14(8-11)17(10-18(22-16)19(23)24-3)21-15-7-5-13(20)9-12(15)2/h4-10H,1-3H3,(H,21,22)
InChIKeyQVXSRKLXFWKRCX-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.52
Rot. Bonds3

About methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate

methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate (PubChem CID 53113268) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate
PubChem CID53113268
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Namemethyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccc(F)cc2C)c2cc(C)ccc2n1
InChIInChI=1S/C19H17FN2O2/c1-11-4-6-16-14(8-11)17(10-18(22-16)19(23)24-3)21-15-7-5-13(20)9-12(15)2/h4-10H,1-3H3,(H,21,22)
InChIKeyQVXSRKLXFWKRCX-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-bromo-4-methylanilino)-6-fluoroquinoline-2-carboxylate
CID 53113296
methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate
CID 53113261
methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113277
methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate
CID 53113265
methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
CID 53113257
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237
methyl 6-methyl-4-(4-phenylmethoxyanilino)quinoline-2-carboxylate
CID 53001303
methyl 4-(2,5-difluoroanilino)-8-methylquinoline-2-carboxylate
CID 53113330
methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate
CID 84626017
ethyl 2-(4-fluoro-2-methylanilino)-5-methylbenzoate
CID 155452836
4-(2,4-dimethylanilino)-2-methylquinoline-6-carboxylic acid
CID 7719183
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate?
The IUPAC name of methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate (CID 53113268) is methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate is COC(=O)c1cc(Nc2ccc(F)cc2C)c2cc(C)ccc2n1.
What is the InChIKey of methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate?
The InChIKey is QVXSRKLXFWKRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-11-4-6-16-14(8-11)17(10-18(22-16)19(23)24-3)21-15-7-5-13(20)9-12(15)2/h4-10H,1-3H3,(H,21,22).
What are the key properties of methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate?
methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate has a molecular weight of 324.36 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate is sourced from PubChem (CID 53113268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).