8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

C18H14NO2- — CID 4746270

IUPAC8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)cc1
InChIInChI=1S/C18H15NO2/c1-11-6-8-13(9-7-11)16-10-15(18(20)21)14-5-3-4-12(2)17(14)19-16/h3-10H,1-2H3,(H,20,21)/p-1
InChIKeyQVVZBONLURDKEG-UHFFFAOYSA-M
MW276.32 g/mol
LogP2.88
Rot. Bonds2

About 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate (PubChem CID 4746270) has the molecular formula C18H14NO2- and a molecular weight of 276.32 g/mol. Its IUPAC name is 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
PubChem CID4746270
Molecular FormulaC18H14NO2-
Molecular Weight276.32 g/mol
Exact Mass276.10
IUPAC Name8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)cc1
InChIInChI=1S/C18H15NO2/c1-11-6-8-13(9-7-11)16-10-15(18(20)21)14-5-3-4-12(2)17(14)19-16/h3-10H,1-2H3,(H,20,21)/p-1
InChIKeyQVVZBONLURDKEG-UHFFFAOYSA-M
XLogP2.88
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
CID 6975057
8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 7139650
potassium 2-(3-ethoxyphenyl)-8-methylquinoline-4-carboxylate
CID 23686845
6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 7048477
2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 5202236
(4-methylphenyl) 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
CID 5159721
[2-(4-methylphenyl)-2-oxoethyl] 8-methyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylate
CID 3741388
(4-methylphenyl) 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate
CID 3837773
2-(2-methoxynaphthalen-1-yl)-8-methylquinoline-4-carboxylate
CID 7139665
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
8-methyl-N',2-diphenylquinoline-4-carbohydrazide
CID 4554842
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid
CID 50889237

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The IUPAC name of 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate (CID 4746270) is 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The canonical SMILES for 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)cc1.
What is the InChIKey of 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate?
The InChIKey is QVVZBONLURDKEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15NO2/c1-11-6-8-13(9-7-11)16-10-15(18(20)21)14-5-3-4-12(2)17(14)19-16/h3-10H,1-2H3,(H,20,21)/p-1.
What are the key properties of 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate?
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate has a molecular weight of 276.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 4746270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).