7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid

C13H13ClN2O2 — CID 84639663

IUPAC7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
SMILESCNCc1cc(C(=O)O)c2ccc(Cl)c(C)c2n1
InChIInChI=1S/C13H13ClN2O2/c1-7-11(14)4-3-9-10(13(17)18)5-8(6-15-2)16-12(7)9/h3-5,15H,6H2,1-2H3,(H,17,18)
InChIKeyPAOABMSULNKBKM-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.61
Rot. Bonds3

About 7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid

7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid (PubChem CID 84639663) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
PubChem CID84639663
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
SMILESCNCc1cc(C(=O)O)c2ccc(Cl)c(C)c2n1
InChIInChI=1S/C13H13ClN2O2/c1-7-11(14)4-3-9-10(13(17)18)5-8(6-15-2)16-12(7)9/h3-5,15H,6H2,1-2H3,(H,17,18)
InChIKeyPAOABMSULNKBKM-UHFFFAOYSA-N
XLogP2.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
CID 84625990
7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4016668
2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid
CID 84641441
7,8-dichloro-N,N-dimethyl-2-(methylaminomethyl)quinolin-4-amine
CID 82249628
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile
CID 84626490
(7-chloro-2,8-dimethylquinolin-4-yl)boronic acid
CID 75485966
2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 2220589
7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895
7-chloro-4-(3-hydroxypropylamino)-8-methylquinoline-3-carboxylic acid
CID 7137819
1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82451762
2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
CID 84642426

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid?
The IUPAC name of 7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid (CID 84639663) is 7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid?
The canonical SMILES for 7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid is CNCc1cc(C(=O)O)c2ccc(Cl)c(C)c2n1.
What is the InChIKey of 7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid?
The InChIKey is PAOABMSULNKBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7-11(14)4-3-9-10(13(17)18)5-8(6-15-2)16-12(7)9/h3-5,15H,6H2,1-2H3,(H,17,18).
What are the key properties of 7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid?
7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid has a molecular weight of 264.71 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 84639663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).