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

C19H18N2O3 — CID 730949

IUPACmethyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)cc(Nc3cccc(OC)c3)c2c1
InChIInChI=1S/C19H18N2O3/c1-12-9-18(21-14-5-4-6-15(11-14)23-2)16-10-13(19(22)24-3)7-8-17(16)20-12/h4-11H,1-3H3,(H,20,21)
InChIKeyOTUFBPMPGHGJQF-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.08
Rot. Bonds4

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

methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate (PubChem CID 730949) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
PubChem CID730949
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namemethyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)cc(Nc3cccc(OC)c3)c2c1
InChIInChI=1S/C19H18N2O3/c1-12-9-18(21-14-5-4-6-15(11-14)23-2)16-10-13(19(22)24-3)7-8-17(16)20-12/h4-11H,1-3H3,(H,20,21)
InChIKeyOTUFBPMPGHGJQF-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

3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
[4-(3-methoxyanilino)-2-methylquinolin-6-yl]-pyrazin-2-ylmethanone;hydrochloride
CID 22417962
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
CID 53113257
ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2917853
4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 3687425
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
4-(3-methoxyanilino)-2-methylquinolin-7-ol;hydrochloride
CID 135802999
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2790120

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate?
The IUPAC name of methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate (CID 730949) is methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate.
What is the SMILES notation for methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate?
The canonical SMILES for methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate is COC(=O)c1ccc2nc(C)cc(Nc3cccc(OC)c3)c2c1.
What is the InChIKey of methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate?
The InChIKey is OTUFBPMPGHGJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-9-18(21-14-5-4-6-15(11-14)23-2)16-10-13(19(22)24-3)7-8-17(16)20-12/h4-11H,1-3H3,(H,20,21).
What are the key properties of methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate?
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-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)-2-methylquinoline-6-carboxylate is sourced from PubChem (CID 730949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).