methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride

C20H21ClN2O2 — CID 2790970

IUPACmethyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2nc(C)cc(Nc3ccc(C)c(C)c3)c2c1.Cl
InChIInChI=1S/C20H20N2O2.ClH/c1-12-5-7-16(9-13(12)2)22-19-10-14(3)21-18-8-6-15(11-17(18)19)20(23)24-4;/h5-11H,1-4H3,(H,21,22);1H
InChIKeyVDPUGCBPLLKFKN-UHFFFAOYSA-N
MW356.85 g/mol
LogP5.11
Rot. Bonds3

About methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride

methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride (PubChem CID 2790970) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
PubChem CID2790970
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Namemethyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2nc(C)cc(Nc3ccc(C)c(C)c3)c2c1.Cl
InChIInChI=1S/C20H20N2O2.ClH/c1-12-5-7-16(9-13(12)2)22-19-10-14(3)21-18-8-6-15(11-17(18)19)20(23)24-4;/h5-11H,1-4H3,(H,21,22);1H
InChIKeyVDPUGCBPLLKFKN-UHFFFAOYSA-N
XLogP5.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.85
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
methyl 2-methyl-4-(4-piperidin-1-ylanilino)quinoline-6-carboxylate
CID 23854503
methyl 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
CID 730958
methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate
CID 53113261
methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2790120
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2917853
4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 16876467

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride?
The IUPAC name of methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride (CID 2790970) is methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride is COC(=O)c1ccc2nc(C)cc(Nc3ccc(C)c(C)c3)c2c1.Cl.
What is the InChIKey of methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride?
The InChIKey is VDPUGCBPLLKFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2.ClH/c1-12-5-7-16(9-13(12)2)22-19-10-14(3)21-18-8-6-15(11-17(18)19)20(23)24-4;/h5-11H,1-4H3,(H,21,22);1H.
What are the key properties of methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride?
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride is sourced from PubChem (CID 2790970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).