methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate

C19H19N2O3+ — CID 4574013

IUPACmethyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(OC)cc23)cc1
InChIInChI=1S/C19H18N2O3/c1-12-10-18(16-11-15(23-2)8-9-17(16)20-12)21-14-6-4-13(5-7-14)19(22)24-3/h4-11H,1-3H3,(H,20,21)/p+1
InChIKeyRCVCPBNUJRCPDW-UHFFFAOYSA-O
MW323.37 g/mol
LogP3.50
Rot. Bonds4

About methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate

methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate (PubChem CID 4574013) has the molecular formula C19H19N2O3+ and a molecular weight of 323.37 g/mol. Its IUPAC name is methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate
PubChem CID4574013
Molecular FormulaC19H19N2O3+
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Namemethyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(OC)cc23)cc1
InChIInChI=1S/C19H18N2O3/c1-12-10-18(16-11-15(23-2)8-9-17(16)20-12)21-14-6-4-13(5-7-14)19(22)24-3/h4-11H,1-3H3,(H,20,21)/p+1
InChIKeyRCVCPBNUJRCPDW-UHFFFAOYSA-O
XLogP3.50
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate with MolForge

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Related Compounds

2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride
CID 44661730
ethyl 4-(4-hydroxyanilino)-2-methylquinolin-1-ium-6-carboxylate chloride
CID 44660205
4-[(8-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoic acid
CID 1398391
dimethyl 5-(4-methoxyanilino)benzene-1,3-dicarboxylate
CID 155291103
4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 3687425
propyl 4-[(6-methoxy-2-methylquinolin-4-yl)amino]benzoate;hydrochloride
CID 18590567
ethyl 4-[[6-methoxy-2-(4-methylpiperidine-1-carbonyl)quinolin-4-yl]amino]benzoate
CID 53002745
methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate
CID 66487273
methyl 4-(3-methoxy-2-methylanilino)benzoate
CID 69185509
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate?
The IUPAC name of methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate (CID 4574013) is methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate is COC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(OC)cc23)cc1.
What is the InChIKey of methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate?
The InChIKey is RCVCPBNUJRCPDW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18N2O3/c1-12-10-18(16-11-15(23-2)8-9-17(16)20-12)21-14-6-4-13(5-7-14)19(22)24-3/h4-11H,1-3H3,(H,20,21)/p+1.
What are the key properties of methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate?
methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate has a molecular weight of 323.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate is sourced from PubChem (CID 4574013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).