6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid

C13H14N2O2 — CID 84625990

IUPAC6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
SMILESCNCc1cc(C(=O)O)c2cc(C)ccc2n1
InChIInChI=1S/C13H14N2O2/c1-8-3-4-12-10(5-8)11(13(16)17)6-9(15-12)7-14-2/h3-6,14H,7H2,1-2H3,(H,16,17)
InChIKeyGYCPHYAYLOKRQO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.96
Rot. Bonds3

About 6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid

6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid (PubChem CID 84625990) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
PubChem CID84625990
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
SMILESCNCc1cc(C(=O)O)c2cc(C)ccc2n1
InChIInChI=1S/C13H14N2O2/c1-8-3-4-12-10(5-8)11(13(16)17)6-9(15-12)7-14-2/h3-6,14H,7H2,1-2H3,(H,16,17)
InChIKeyGYCPHYAYLOKRQO-UHFFFAOYSA-N
XLogP1.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
CID 84639663
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
N-methyl-1-(6-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82448157
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
6-methyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 1229845
2-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methylquinoline-4-carboxylic acid
CID 63751054
6-methyl-2-(1,3-thiazol-5-yl)quinoline-4-carboxylic acid
CID 113486957
methyl 3-(4,6-dimethylquinolin-2-yl)propanoate
CID 82578143
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
4,6-dimethylquinazoline-2-carboxylic acid
CID 84776717
2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 18107562

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid (CID 84625990) is 6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid is CNCc1cc(C(=O)O)c2cc(C)ccc2n1.
What is the InChIKey of 6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid?
The InChIKey is GYCPHYAYLOKRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-3-4-12-10(5-8)11(13(16)17)6-9(15-12)7-14-2/h3-6,14H,7H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid?
6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 84625990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).