methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate

C20H19NO3 — CID 23764419

IUPACmethyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)cc(Oc3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C20H19NO3/c1-12-7-13(2)9-16(8-12)24-19-10-14(3)21-18-6-5-15(11-17(18)19)20(22)23-4/h5-11H,1-4H3
InChIKeySFOBXAYJMSQDCH-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.74
Rot. Bonds3

About methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate

methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate (PubChem CID 23764419) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate
PubChem CID23764419
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Namemethyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)cc(Oc3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C20H19NO3/c1-12-7-13(2)9-16(8-12)24-19-10-14(3)21-18-6-5-15(11-17(18)19)20(22)23-4/h5-11H,1-4H3
InChIKeySFOBXAYJMSQDCH-UHFFFAOYSA-N
XLogP4.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016247
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
methyl 4-(4-chloro-2-methylanilino)-2-methylquinoline-6-carboxylate
CID 730958
methyl 4-[[5,8,11,20-tetrakis(4-methoxycarbonylphenoxy)-2-hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaenyl]oxy]benzoate
CID 44542692
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone
CID 162667689
methyl 4-amino-3-(4-methylphenoxy)benzoate
CID 79017162
4-(3,4-dimethylphenoxy)-2,6-dimethylquinoline
CID 23962836

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate?
The IUPAC name of methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate (CID 23764419) is methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate.
What is the SMILES notation for methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate?
The canonical SMILES for methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate is COC(=O)c1ccc2nc(C)cc(Oc3cc(C)cc(C)c3)c2c1.
What is the InChIKey of methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate?
The InChIKey is SFOBXAYJMSQDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-12-7-13(2)9-16(8-12)24-19-10-14(3)21-18-6-5-15(11-17(18)19)20(22)23-4/h5-11H,1-4H3.
What are the key properties of methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate?
methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,5-dimethylphenoxy)-2-methylquinoline-6-carboxylate is sourced from PubChem (CID 23764419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).