N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine

C17H14Cl2N2O2 — CID 5328888

IUPACN-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine
SMILESCOc1cc2nccc(Nc3ccc(Cl)cc3Cl)c2cc1OC
InChIInChI=1S/C17H14Cl2N2O2/c1-22-16-8-11-13(5-6-20-15(11)9-17(16)23-2)21-14-4-3-10(18)7-12(14)19/h3-9H,1-2H3,(H,20,21)
InChIKeyAMKPAGTWVTZQPM-UHFFFAOYSA-N
MW349.22 g/mol
LogP5.30
Rot. Bonds4

About N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine

N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine (PubChem CID 5328888) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine
PubChem CID5328888
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC NameN-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine
SMILESCOc1cc2nccc(Nc3ccc(Cl)cc3Cl)c2cc1OC
InChIInChI=1S/C17H14Cl2N2O2/c1-22-16-8-11-13(5-6-20-15(11)9-17(16)23-2)21-14-4-3-10(18)7-12(14)19/h3-9H,1-2H3,(H,20,21)
InChIKeyAMKPAGTWVTZQPM-UHFFFAOYSA-N
XLogP5.30
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.22
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine (CID 5328888) is N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine is COc1cc2nccc(Nc3ccc(Cl)cc3Cl)c2cc1OC.
What is the InChIKey of N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine?
The InChIKey is AMKPAGTWVTZQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-22-16-8-11-13(5-6-20-15(11)9-17(16)23-2)21-14-4-3-10(18)7-12(14)19/h3-9H,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine?
N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine has a molecular weight of 349.22 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine is sourced from PubChem (CID 5328888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).