4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine

C17H17N3 — CID 83060646

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

About 4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine

4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine (PubChem CID 83060646) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine
PubChem CID83060646
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine
SMILESCc1ccc(C)c(Nc2ccnc3c(N)cccc23)c1
InChIInChI=1S/C17H17N3/c1-11-6-7-12(2)16(10-11)20-15-8-9-19-17-13(15)4-3-5-14(17)18/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyLJTMOFFDQOUKBD-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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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine (CID 83060646) is 4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine is Cc1ccc(C)c(Nc2ccnc3c(N)cccc23)c1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine?
The InChIKey is LJTMOFFDQOUKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-6-7-12(2)16(10-11)20-15-8-9-19-17-13(15)4-3-5-14(17)18/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine?
4-N-(2,5-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-(2,5-dimethylphenyl)quinoline-4,8-diamine is sourced from PubChem (CID 83060646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).