4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine

C17H17N3 — CID 83060283

IUPAC4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine
SMILESCc1ccc(Nc2ccnc3c(N)cccc23)cc1C
InChIInChI=1S/C17H17N3/c1-11-6-7-13(10-12(11)2)20-16-8-9-19-17-14(16)4-3-5-15(17)18/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyWKSPXOHTYHXWBY-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.18
Rot. Bonds2

About 4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine

4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine (PubChem CID 83060283) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine
PubChem CID83060283
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine
SMILESCc1ccc(Nc2ccnc3c(N)cccc23)cc1C
InChIInChI=1S/C17H17N3/c1-11-6-7-13(10-12(11)2)20-16-8-9-19-17-14(16)4-3-5-15(17)18/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyWKSPXOHTYHXWBY-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

4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine
CID 83060895
4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine
CID 83060646
4-N-(4-bromophenyl)quinoline-4,8-diamine
CID 83061245
4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine
CID 107633881
5-N-(4-methylphenyl)quinoline-5,8-diamine
CID 43449531
4-N-(2-ethylphenyl)quinoline-4,8-diamine
CID 83060869
5-N-(3-fluoro-4-methoxyphenyl)quinoline-5,8-diamine
CID 43449573
5-N-(4-fluoro-3-methoxyphenyl)quinoline-5,8-diamine
CID 114837272
N-(4-methoxy-3-methylphenyl)quinolin-4-amine
CID 142581718
4-N-(2-methylbutan-2-yl)quinoline-4,8-diamine
CID 83058211
4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine
CID 83065865
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,8-diamine
CID 83060905

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine (CID 83060283) is 4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine is Cc1ccc(Nc2ccnc3c(N)cccc23)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine?
The InChIKey is WKSPXOHTYHXWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-6-7-13(10-12(11)2)20-16-8-9-19-17-14(16)4-3-5-15(17)18/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine?
4-N-(3,4-dimethylphenyl)quinoline-4,8-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 4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine is sourced from PubChem (CID 83060283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).