N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine

C18H17ClN2 — CID 50739348

IUPACN-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine
SMILESCc1cc(C)c2nc(Nc3ccc(Cl)cc3)cc(C)c2c1
InChIInChI=1S/C18H17ClN2/c1-11-8-13(3)18-16(9-11)12(2)10-17(21-18)20-15-6-4-14(19)5-7-15/h4-10H,1-3H3,(H,20,21)
InChIKeyBBSMCNORCFLYRB-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.56
Rot. Bonds2

About N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine

N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine (PubChem CID 50739348) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine
PubChem CID50739348
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC NameN-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine
SMILESCc1cc(C)c2nc(Nc3ccc(Cl)cc3)cc(C)c2c1
InChIInChI=1S/C18H17ClN2/c1-11-8-13(3)18-16(9-11)12(2)10-17(21-18)20-15-6-4-14(19)5-7-15/h4-10H,1-3H3,(H,20,21)
InChIKeyBBSMCNORCFLYRB-UHFFFAOYSA-N
XLogP5.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-4,6,8-trimethylquinolin-2-amine;hydrochloride
CID 56728926
6-chloro-N-(4-chlorophenyl)-5-(2,4,6-trimethylphenoxy)pyridazin-3-amine
CID 71581715
N-(4-chlorophenyl)-4-methylpyridin-2-amine
CID 53414585
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol
CID 696659
N-(4-chlorophenyl)-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 14935475
N-(4-methoxyphenyl)-4,6-dimethylquinolin-2-amine;hydrochloride
CID 2876854
4-N-(4-chlorophenyl)-2-N-(2,6-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928418
6-N-(4-chlorophenyl)-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112876660
6-N-(4-chlorophenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878057
4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877931
4,5,7-trimethyl-N-phenylquinolin-2-amine
CID 740918

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine (CID 50739348) is N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine is Cc1cc(C)c2nc(Nc3ccc(Cl)cc3)cc(C)c2c1.
What is the InChIKey of N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine?
The InChIKey is BBSMCNORCFLYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-11-8-13(3)18-16(9-11)12(2)10-17(21-18)20-15-6-4-14(19)5-7-15/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine?
N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine has a molecular weight of 296.80 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4,6,8-trimethylquinolin-2-amine is sourced from PubChem (CID 50739348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).