3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

C20H20N2O2 — CID 16643744

IUPAC3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2N(C)C)cc1
InChIInChI=1S/C20H20N2O2/c1-12-5-8-14(9-6-12)18-19(22(3)4)17(20(23)24)15-11-13(2)7-10-16(15)21-18/h5-11H,1-4H3,(H,23,24)
InChIKeyMJKUMBPOHBBJAN-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.28
Rot. Bonds3

About 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid (PubChem CID 16643744) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
PubChem CID16643744
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2N(C)C)cc1
InChIInChI=1S/C20H20N2O2/c1-12-5-8-14(9-6-12)18-19(22(3)4)17(20(23)24)15-11-13(2)7-10-16(15)21-18/h5-11H,1-4H3,(H,23,24)
InChIKeyMJKUMBPOHBBJAN-UHFFFAOYSA-N
XLogP4.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-6-fluoro-2-(4-phenylphenyl)quinoline-4-carboxylic acid
CID 15085956
3-(dimethylamino)-2-phenylquinoline-4-carboxylic acid
CID 16643681
6-methyl-2-(4-methylphenyl)-3-pyrrolidin-1-ylquinoline-4-carboxylic acid
CID 16643746
6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 4712139
6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
CID 16643751
3,6-dimethyl-2-(4-propoxyphenyl)quinoline-4-carboxylic acid
CID 5113292
6-chloro-2-(4-methylphenyl)-3-morpholin-4-ylquinoline-4-carboxylic acid
CID 16643776
2-[5-[4-(dimethylamino)phenyl]-2-pyridinyl]-6-methylquinoline-4-carboxylic acid
CID 170149298
4-chloro-6-(dimethylamino)-2-phenylquinoline-3-carboxylic acid
CID 82220105
7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 752870
6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid
CID 16643787
6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
CID 168514407

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid (CID 16643744) is 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid is Cc1ccc(-c2nc3ccc(C)cc3c(C(=O)O)c2N(C)C)cc1.
What is the InChIKey of 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The InChIKey is MJKUMBPOHBBJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-5-8-14(9-6-12)18-19(22(3)4)17(20(23)24)15-11-13(2)7-10-16(15)21-18/h5-11H,1-4H3,(H,23,24).
What are the key properties of 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 16643744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).