2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate

C18H14NO3- — CID 4744706

IUPAC2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
SMILESCOc1cccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c1
InChIInChI=1S/C18H15NO3/c1-11-6-7-16-14(8-11)15(18(20)21)10-17(19-16)12-4-3-5-13(9-12)22-2/h3-10H,1-2H3,(H,20,21)/p-1
InChIKeyMMWABPDZOOUCOI-UHFFFAOYSA-M
MW292.31 g/mol
LogP2.58
Rot. Bonds3

About 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate

2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate (PubChem CID 4744706) has the molecular formula C18H14NO3- and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
PubChem CID4744706
Molecular FormulaC18H14NO3-
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
SMILESCOc1cccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c1
InChIInChI=1S/C18H15NO3/c1-11-6-7-16-14(8-11)15(18(20)21)10-17(19-16)12-4-3-5-13(9-12)22-2/h3-10H,1-2H3,(H,20,21)/p-1
InChIKeyMMWABPDZOOUCOI-UHFFFAOYSA-M
XLogP2.58
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
CID 5103273
2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42750052
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 42750059
6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
CID 842809
6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 18073446
6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 3889769
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 42659177
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
CID 46779788
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-6-methylquinoline-4-carboxylate
CID 7139751

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate?
The IUPAC name of 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate (CID 4744706) is 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate.
What is the SMILES notation for 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate?
The canonical SMILES for 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate is COc1cccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate?
The InChIKey is MMWABPDZOOUCOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15NO3/c1-11-6-7-16-14(8-11)15(18(20)21)10-17(19-16)12-4-3-5-13(9-12)22-2/h3-10H,1-2H3,(H,20,21)/p-1.
What are the key properties of 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate?
2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate has a molecular weight of 292.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate is sourced from PubChem (CID 4744706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).