6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine

C16H11Cl3N2 — CID 730833

IUPAC6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
SMILESCc1cc(Nc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H11Cl3N2/c1-9-6-16(12-7-10(17)2-5-15(12)20-9)21-11-3-4-13(18)14(19)8-11/h2-8H,1H3,(H,20,21)
InChIKeyYKNHXABRNWDVCQ-UHFFFAOYSA-N
MW337.64 g/mol
LogP6.25
Rot. Bonds2

About 6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine

6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine (PubChem CID 730833) has the molecular formula C16H11Cl3N2 and a molecular weight of 337.64 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
PubChem CID730833
Molecular FormulaC16H11Cl3N2
Molecular Weight337.64 g/mol
Exact Mass336.00
IUPAC Name6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
SMILESCc1cc(Nc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H11Cl3N2/c1-9-6-16(12-7-10(17)2-5-15(12)20-9)21-11-3-4-13(18)14(19)8-11/h2-8H,1H3,(H,20,21)
InChIKeyYKNHXABRNWDVCQ-UHFFFAOYSA-N
XLogP6.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-methyl-N-(4-methylphenyl)quinolin-4-amine
CID 730830
6-chloro-N-(3,4-dimethoxyphenyl)-2-methylquinolin-4-amine
CID 23793112
N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 110435673
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
N-(3-chloro-4-methoxyphenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798244
6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride
CID 2790572
2-[(6-chloro-2-methylquinolin-4-yl)amino]ethanol
CID 155175469
6-chloro-N-(5-chloro-2-methoxyphenyl)-2-methylquinolin-4-amine;hydrochloride
CID 2790562
N-(3-chlorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 692374
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
4-N-(3-chloro-4-fluorophenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)quinoline-4,6-diamine
CID 141161256
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine?
The IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine (CID 730833) is 6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine?
The canonical SMILES for 6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine is Cc1cc(Nc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine?
The InChIKey is YKNHXABRNWDVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2/c1-9-6-16(12-7-10(17)2-5-15(12)20-9)21-11-3-4-13(18)14(19)8-11/h2-8H,1H3,(H,20,21).
What are the key properties of 6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine?
6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine has a molecular weight of 337.64 g/mol, XLogP of 6.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 730833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).