methyl 4-anilino-2-methylquinoline-6-carboxylate

C18H16N2O2 — CID 730938

IUPACmethyl 4-anilino-2-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)cc(Nc3ccccc3)c2c1
InChIInChI=1S/C18H16N2O2/c1-12-10-17(20-14-6-4-3-5-7-14)15-11-13(18(21)22-2)8-9-16(15)19-12/h3-11H,1-2H3,(H,19,20)
InChIKeyDQCBSJZNEBFINZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.07
Rot. Bonds3

About methyl 4-anilino-2-methylquinoline-6-carboxylate

methyl 4-anilino-2-methylquinoline-6-carboxylate (PubChem CID 730938) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 4-anilino-2-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-anilino-2-methylquinoline-6-carboxylate
PubChem CID730938
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namemethyl 4-anilino-2-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)cc(Nc3ccccc3)c2c1
InChIInChI=1S/C18H16N2O2/c1-12-10-17(20-14-6-4-3-5-7-14)15-11-13(18(21)22-2)8-9-16(15)19-12/h3-11H,1-2H3,(H,19,20)
InChIKeyDQCBSJZNEBFINZ-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
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
ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2917853
methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016247
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2790120

Frequently Asked Questions

What is the IUPAC name of methyl 4-anilino-2-methylquinoline-6-carboxylate?
The IUPAC name of methyl 4-anilino-2-methylquinoline-6-carboxylate (CID 730938) is methyl 4-anilino-2-methylquinoline-6-carboxylate.
What is the SMILES notation for methyl 4-anilino-2-methylquinoline-6-carboxylate?
The canonical SMILES for methyl 4-anilino-2-methylquinoline-6-carboxylate is COC(=O)c1ccc2nc(C)cc(Nc3ccccc3)c2c1.
What is the InChIKey of methyl 4-anilino-2-methylquinoline-6-carboxylate?
The InChIKey is DQCBSJZNEBFINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-10-17(20-14-6-4-3-5-7-14)15-11-13(18(21)22-2)8-9-16(15)19-12/h3-11H,1-2H3,(H,19,20).
What are the key properties of methyl 4-anilino-2-methylquinoline-6-carboxylate?
methyl 4-anilino-2-methylquinoline-6-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-anilino-2-methylquinoline-6-carboxylate is sourced from PubChem (CID 730938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).