N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine

C17H15ClN2 — CID 761526

IUPACN-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine
SMILESCc1ccc2cc(C)c(Nc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C17H15ClN2/c1-11-3-4-13-10-12(2)17(20-16(13)9-11)19-15-7-5-14(18)6-8-15/h3-10H,1-2H3,(H,19,20)
InChIKeyQWWZMEVMLJBGJR-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.25
Rot. Bonds2

About N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine

N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine (PubChem CID 761526) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine
PubChem CID761526
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC NameN-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine
SMILESCc1ccc2cc(C)c(Nc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C17H15ClN2/c1-11-3-4-13-10-12(2)17(20-16(13)9-11)19-15-7-5-14(18)6-8-15/h3-10H,1-2H3,(H,19,20)
InChIKeyQWWZMEVMLJBGJR-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine (CID 761526) is N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine is Cc1ccc2cc(C)c(Nc3ccc(Cl)cc3)nc2c1.
What is the InChIKey of N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine?
The InChIKey is QWWZMEVMLJBGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-11-3-4-13-10-12(2)17(20-16(13)9-11)19-15-7-5-14(18)6-8-15/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine?
N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine has a molecular weight of 282.77 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3,7-dimethylquinolin-2-amine is sourced from PubChem (CID 761526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).