2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline

C17H14Cl2N2 — CID 105378164

IUPAC2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline
SMILESCc1ccc2cc(CNc3ccc(Cl)cc3Cl)ccc2n1
InChIInChI=1S/C17H14Cl2N2/c1-11-2-4-13-8-12(3-6-16(13)21-11)10-20-17-7-5-14(18)9-15(17)19/h2-9,20H,10H2,1H3
InChIKeyKOTSCGPNGXBPAX-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.46
Rot. Bonds3

About 2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline

2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline (PubChem CID 105378164) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline
PubChem CID105378164
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline
SMILESCc1ccc2cc(CNc3ccc(Cl)cc3Cl)ccc2n1
InChIInChI=1S/C17H14Cl2N2/c1-11-2-4-13-8-12(3-6-16(13)21-11)10-20-17-7-5-14(18)9-15(17)19/h2-9,20H,10H2,1H3
InChIKeyKOTSCGPNGXBPAX-UHFFFAOYSA-N
XLogP5.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline 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

2,3-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 105378259
2-bromo-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 105378188
4-bromo-3-chloro-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 107618952
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
2,4-dichloro-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267407
3-bromo-4-fluoro-N-[(2-methylquinolin-6-yl)methyl]aniline
CID 105378667
4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
CID 28545153
4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
CID 28932248
2,4-dichloro-N-(pyrimidin-5-ylmethyl)aniline
CID 62760795
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
CID 105378521

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline?
The IUPAC name of 2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline (CID 105378164) is 2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline is Cc1ccc2cc(CNc3ccc(Cl)cc3Cl)ccc2n1.
What is the InChIKey of 2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline?
The InChIKey is KOTSCGPNGXBPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-11-2-4-13-8-12(3-6-16(13)21-11)10-20-17-7-5-14(18)9-15(17)19/h2-9,20H,10H2,1H3.
What are the key properties of 2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline?
2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline has a molecular weight of 317.22 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-methylquinolin-6-yl)methyl]aniline is sourced from PubChem (CID 105378164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).