3-chloro-7-(methylaminomethyl)quinolin-2-amine

C11H12ClN3 — CID 171501431

IUPAC3-chloro-7-(methylaminomethyl)quinolin-2-amine
SMILESCNCc1ccc2cc(Cl)c(N)nc2c1
InChIInChI=1S/C11H12ClN3/c1-14-6-7-2-3-8-5-9(12)11(13)15-10(8)4-7/h2-5,14H,6H2,1H3,(H2,13,15)
InChIKeyVZVHCYNAEOTNFJ-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.19
Rot. Bonds2

About 3-chloro-7-(methylaminomethyl)quinolin-2-amine

3-chloro-7-(methylaminomethyl)quinolin-2-amine (PubChem CID 171501431) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 3-chloro-7-(methylaminomethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-chloro-7-(methylaminomethyl)quinolin-2-amine
PubChem CID171501431
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name3-chloro-7-(methylaminomethyl)quinolin-2-amine
SMILESCNCc1ccc2cc(Cl)c(N)nc2c1
InChIInChI=1S/C11H12ClN3/c1-14-6-7-2-3-8-5-9(12)11(13)15-10(8)4-7/h2-5,14H,6H2,1H3,(H2,13,15)
InChIKeyVZVHCYNAEOTNFJ-UHFFFAOYSA-N
XLogP2.19
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-7-(methylaminomethyl)quinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(methylaminomethyl)-3-phosphanylquinolin-2-amine
CID 171501697
3-chloro-7-(2-methylpropyl)quinolin-2-amine
CID 166974012
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
7-[[3-(methylaminomethyl)anilino]methyl]quinolin-2-amine
CID 118579721
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
6-(methylaminomethyl)isoquinolin-1-amine
CID 139340899
[2-amino-7-(methylaminomethyl)quinolin-4-yl]methanol;methanol
CID 171501890
6-chloro-4-(methylaminomethyl)pyridin-2-amine
CID 89380698
1-(4-chloro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 142068001
2,3-dichloro-7-(2,2-dimethylpropyl)quinoline
CID 155185194
1-(3-chloro-4-propylsulfanylphenyl)-N-methylmethanamine
CID 81160889
ethane;N-methyl-1-(2-methyl-1,3-benzothiazol-5-yl)methanamine
CID 162358300

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-(methylaminomethyl)quinolin-2-amine?
The IUPAC name of 3-chloro-7-(methylaminomethyl)quinolin-2-amine (CID 171501431) is 3-chloro-7-(methylaminomethyl)quinolin-2-amine.
What is the SMILES notation for 3-chloro-7-(methylaminomethyl)quinolin-2-amine?
The canonical SMILES for 3-chloro-7-(methylaminomethyl)quinolin-2-amine is CNCc1ccc2cc(Cl)c(N)nc2c1.
What is the InChIKey of 3-chloro-7-(methylaminomethyl)quinolin-2-amine?
The InChIKey is VZVHCYNAEOTNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-14-6-7-2-3-8-5-9(12)11(13)15-10(8)4-7/h2-5,14H,6H2,1H3,(H2,13,15).
What are the key properties of 3-chloro-7-(methylaminomethyl)quinolin-2-amine?
3-chloro-7-(methylaminomethyl)quinolin-2-amine has a molecular weight of 221.69 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-(methylaminomethyl)quinolin-2-amine is sourced from PubChem (CID 171501431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).