methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate

C19H18N2O3 — CID 53113257

IUPACmethyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2cccc(OC)c2)c2cc(C)ccc2n1
InChIInChI=1S/C19H18N2O3/c1-12-7-8-16-15(9-12)17(11-18(21-16)19(22)24-3)20-13-5-4-6-14(10-13)23-2/h4-11H,1-3H3,(H,20,21)
InChIKeyRWNNLWMFBBWSME-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.08
Rot. Bonds4

About methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate

methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate (PubChem CID 53113257) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
PubChem CID53113257
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2cccc(OC)c2)c2cc(C)ccc2n1
InChIInChI=1S/C19H18N2O3/c1-12-7-8-16-15(9-12)17(11-18(21-16)19(22)24-3)20-13-5-4-6-14(10-13)23-2/h4-11H,1-3H3,(H,20,21)
InChIKeyRWNNLWMFBBWSME-UHFFFAOYSA-N
XLogP4.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate
CID 53113261
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
methyl 6-methyl-4-(4-phenylmethoxyanilino)quinoline-2-carboxylate
CID 53001303
methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate
CID 53113265
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate
CID 53113268
4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide
CID 44564897
methyl 4-(2-bromo-4-methylanilino)-6-fluoroquinoline-2-carboxylate
CID 53113296
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237
methyl 6-fluoro-4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113277
[4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride
CID 22417962
ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate
CID 46507263

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate?
The IUPAC name of methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate (CID 53113257) is methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate is COC(=O)c1cc(Nc2cccc(OC)c2)c2cc(C)ccc2n1.
What is the InChIKey of methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate?
The InChIKey is RWNNLWMFBBWSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-7-8-16-15(9-12)17(11-18(21-16)19(22)24-3)20-13-5-4-6-14(10-13)23-2/h4-11H,1-3H3,(H,20,21).
What are the key properties of methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate?
methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate is sourced from PubChem (CID 53113257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).