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

C17H17N3 — CID 43450182

IUPAC8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
SMILESCc1ccc(C)c(Nc2ccc(N)c3cccnc23)c1
InChIInChI=1S/C17H17N3/c1-11-5-6-12(2)16(10-11)20-15-8-7-14(18)13-4-3-9-19-17(13)15/h3-10,20H,18H2,1-2H3
InChIKeyWEBZWSQETXQITG-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.18
Rot. Bonds2

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

8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine (PubChem CID 43450182) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
PubChem CID43450182
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
SMILESCc1ccc(C)c(Nc2ccc(N)c3cccnc23)c1
InChIInChI=1S/C17H17N3/c1-11-5-6-12(2)16(10-11)20-15-8-7-14(18)13-4-3-9-19-17(13)15/h3-10,20H,18H2,1-2H3
InChIKeyWEBZWSQETXQITG-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

8-N-(5-bromo-2-methylphenyl)quinoline-5,8-diamine
CID 43805906
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
8-N-(2-bromo-4-methylphenyl)quinoline-5,8-diamine
CID 43450156
8-N-(2-methoxy-5-methylphenyl)quinoline-5,8-diamine
CID 43450177
4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine
CID 83060646
8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine
CID 102803578
5-N-(4-methylphenyl)quinoline-5,8-diamine
CID 43449531
8-N-(2-propan-2-ylphenyl)quinoline-5,8-diamine
CID 43450167
8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
CID 43450170
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
CID 107606169
8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163894
4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 22547024

Frequently Asked Questions

What is the IUPAC name of 8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine (CID 43450182) is 8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine is Cc1ccc(C)c(Nc2ccc(N)c3cccnc23)c1.
What is the InChIKey of 8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine?
The InChIKey is WEBZWSQETXQITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-5-6-12(2)16(10-11)20-15-8-7-14(18)13-4-3-9-19-17(13)15/h3-10,20H,18H2,1-2H3.
What are the key properties of 8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine?
8-N-(2,5-dimethylphenyl)quinoline-5,8-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 8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine is sourced from PubChem (CID 43450182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).