2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine

C17H17N3 — CID 22417903

IUPAC2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine
SMILESCc1ccc(Nc2cc(C)nc3ccc(N)cc23)cc1
InChIInChI=1S/C17H17N3/c1-11-3-6-14(7-4-11)20-17-9-12(2)19-16-8-5-13(18)10-15(16)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyHTMKCJNLXASJPP-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.18
Rot. Bonds2

About 2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine

2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine (PubChem CID 22417903) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine
PubChem CID22417903
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine
SMILESCc1ccc(Nc2cc(C)nc3ccc(N)cc23)cc1
InChIInChI=1S/C17H17N3/c1-11-3-6-14(7-4-11)20-17-9-12(2)19-16-8-5-13(18)10-15(16)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyHTMKCJNLXASJPP-UHFFFAOYSA-N
XLogP4.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-methyl-N-(4-methylphenyl)quinolin-4-amine
CID 730830
N-(4-iodophenyl)-2,6-dimethylquinolin-4-amine
CID 1184486
4-N-(3-bromo-2-methylphenyl)-2-methylquinoline-4,6-diamine
CID 107633720
4-N-(2,2-difluoroethyl)-2-methylquinoline-4,6-diamine
CID 113383859
2-methyl-4-methylsulfanylquinolin-6-amine
CID 18007705
N-[4-[4-[(2,6-dimethylquinolin-4-yl)amino]phenyl]sulfonylphenyl]acetamide
CID 146541441
2,7,8-trimethyl-N-(4-methylphenyl)quinolin-4-amine
CID 743492
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
6-chloro-N-(3,4-dichlorophenyl)-2-methylquinolin-4-amine
CID 730833
4-[(6-hydroxy-2-methylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 16876467
N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798853
2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 43148771

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine?
The IUPAC name of 2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine (CID 22417903) is 2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine.
What is the SMILES notation for 2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine?
The canonical SMILES for 2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine is Cc1ccc(Nc2cc(C)nc3ccc(N)cc23)cc1.
What is the InChIKey of 2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine?
The InChIKey is HTMKCJNLXASJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-3-6-14(7-4-11)20-17-9-12(2)19-16-8-5-13(18)10-15(16)17/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine?
2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine has a molecular weight of 263.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(4-methylphenyl)quinoline-4,6-diamine is sourced from PubChem (CID 22417903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).