6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride

C23H19Cl3N2O — CID 2790572

IUPAC6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride
SMILESCc1cc(Nc2ccc(OCc3ccccc3Cl)cc2)c2cc(Cl)ccc2n1.Cl
InChIInChI=1S/C23H18Cl2N2O.ClH/c1-15-12-23(20-13-17(24)6-11-22(20)26-15)27-18-7-9-19(10-8-18)28-14-16-4-2-3-5-21(16)25;/h2-13H,14H2,1H3,(H,26,27);1H
InChIKeyZUSZDGNSWYSHKC-UHFFFAOYSA-N
MW445.78 g/mol
LogP7.59
Rot. Bonds5

About 6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride

6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride (PubChem CID 2790572) has the molecular formula C23H19Cl3N2O and a molecular weight of 445.78 g/mol. Its IUPAC name is 6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride
PubChem CID2790572
Molecular FormulaC23H19Cl3N2O
Molecular Weight445.78 g/mol
Exact Mass444.06
IUPAC Name6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride
SMILESCc1cc(Nc2ccc(OCc3ccccc3Cl)cc2)c2cc(Cl)ccc2n1.Cl
InChIInChI=1S/C23H18Cl2N2O.ClH/c1-15-12-23(20-13-17(24)6-11-22(20)26-15)27-18-7-9-19(10-8-18)28-14-16-4-2-3-5-21(16)25;/h2-13H,14H2,1H3,(H,26,27);1H
InChIKeyZUSZDGNSWYSHKC-UHFFFAOYSA-N
XLogP7.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.78
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride with MolForge

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Related Compounds

4-[4-[(4-chlorophenyl)methoxy]anilino]-2-methylquinoline-6-carboxylic acid;hydrochloride
CID 22694157
6-chloro-2-methyl-N-(4-methylphenyl)quinolin-4-amine
CID 730830
6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
CID 730833
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
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
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
N-(2,3-dichlorophenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 169487789
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
6-ethoxy-N-(2-fluorophenyl)-2-methylquinolin-4-amine;hydrochloride
CID 56728858

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride?
The IUPAC name of 6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride (CID 2790572) is 6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride.
What is the SMILES notation for 6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride?
The canonical SMILES for 6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride is Cc1cc(Nc2ccc(OCc3ccccc3Cl)cc2)c2cc(Cl)ccc2n1.Cl.
What is the InChIKey of 6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride?
The InChIKey is ZUSZDGNSWYSHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O.ClH/c1-15-12-23(20-13-17(24)6-11-22(20)26-15)27-18-7-9-19(10-8-18)28-14-16-4-2-3-5-21(16)25;/h2-13H,14H2,1H3,(H,26,27);1H.
What are the key properties of 6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride?
6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride has a molecular weight of 445.78 g/mol, XLogP of 7.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-methylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 2790572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).