6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine

C17H17N3 — CID 62001678

IUPAC6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine
SMILESCc1cccc(N(C)c2ccc3ncccc3c2N)c1
InChIInChI=1S/C17H17N3/c1-12-5-3-6-13(11-12)20(2)16-9-8-15-14(17(16)18)7-4-10-19-15/h3-11H,18H2,1-2H3
InChIKeyXOAXQTGCZSFBSK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.89
Rot. Bonds2

About 6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine

6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine (PubChem CID 62001678) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine
PubChem CID62001678
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine
SMILESCc1cccc(N(C)c2ccc3ncccc3c2N)c1
InChIInChI=1S/C17H17N3/c1-12-5-3-6-13(11-12)20(2)16-9-8-15-14(17(16)18)7-4-10-19-15/h3-11H,18H2,1-2H3
InChIKeyXOAXQTGCZSFBSK-UHFFFAOYSA-N
XLogP3.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
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 6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine?
The IUPAC name of 6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine (CID 62001678) is 6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine is Cc1cccc(N(C)c2ccc3ncccc3c2N)c1.
What is the InChIKey of 6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine?
The InChIKey is XOAXQTGCZSFBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-5-3-6-13(11-12)20(2)16-9-8-15-14(17(16)18)7-4-10-19-15/h3-11H,18H2,1-2H3.
What are the key properties of 6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine?
6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine has a molecular weight of 263.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine is sourced from PubChem (CID 62001678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).