6,8-dimethyl-2-phenylquinoline-4-carboxylate

C18H14NO2- — CID 7048477

IUPAC6,8-dimethyl-2-phenylquinoline-4-carboxylate
SMILESCc1cc(C)c2nc(-c3ccccc3)cc(C(=O)[O-])c2c1
InChIInChI=1S/C18H15NO2/c1-11-8-12(2)17-14(9-11)15(18(20)21)10-16(19-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21)/p-1
InChIKeyVSTKTJKCVFHQOQ-UHFFFAOYSA-M
MW276.31 g/mol
LogP2.88
Rot. Bonds2

About 6,8-dimethyl-2-phenylquinoline-4-carboxylate

6,8-dimethyl-2-phenylquinoline-4-carboxylate (PubChem CID 7048477) has the molecular formula C18H14NO2- and a molecular weight of 276.31 g/mol. Its IUPAC name is 6,8-dimethyl-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name6,8-dimethyl-2-phenylquinoline-4-carboxylate
PubChem CID7048477
Molecular FormulaC18H14NO2-
Molecular Weight276.31 g/mol
Exact Mass276.10
IUPAC Name6,8-dimethyl-2-phenylquinoline-4-carboxylate
SMILESCc1cc(C)c2nc(-c3ccccc3)cc(C(=O)[O-])c2c1
InChIInChI=1S/C18H15NO2/c1-11-8-12(2)17-14(9-11)15(18(20)21)10-16(19-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21)/p-1
InChIKeyVSTKTJKCVFHQOQ-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 ≤ 500276.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 4746270
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
2-(3-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
CID 997473
(4-bromophenyl) 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648109
6,8-dimethyl-2-phenylquinolin-4-amine
CID 62201634
6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylic acid
CID 5258869
(4-phenylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17257947
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
8-bromo-6-chloro-2-phenylquinoline-4-carboxylate
CID 5215803

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-phenylquinoline-4-carboxylate?
The IUPAC name of 6,8-dimethyl-2-phenylquinoline-4-carboxylate (CID 7048477) is 6,8-dimethyl-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for 6,8-dimethyl-2-phenylquinoline-4-carboxylate?
The canonical SMILES for 6,8-dimethyl-2-phenylquinoline-4-carboxylate is Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)[O-])c2c1.
What is the InChIKey of 6,8-dimethyl-2-phenylquinoline-4-carboxylate?
The InChIKey is VSTKTJKCVFHQOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15NO2/c1-11-8-12(2)17-14(9-11)15(18(20)21)10-16(19-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,21)/p-1.
What are the key properties of 6,8-dimethyl-2-phenylquinoline-4-carboxylate?
6,8-dimethyl-2-phenylquinoline-4-carboxylate has a molecular weight of 276.31 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 6,8-dimethyl-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 7048477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).