3-N-quinolin-2-ylbenzene-1,3-diamine

C15H13N3 — CID 24695043

IUPAC3-N-quinolin-2-ylbenzene-1,3-diamine
SMILESNc1cccc(Nc2ccc3ccccc3n2)c1
InChIInChI=1S/C15H13N3/c16-12-5-3-6-13(10-12)17-15-9-8-11-4-1-2-7-14(11)18-15/h1-10H,16H2,(H,17,18)
InChIKeyIWNHVHNSYXYQCI-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.56
Rot. Bonds2

About 3-N-quinolin-2-ylbenzene-1,3-diamine

3-N-quinolin-2-ylbenzene-1,3-diamine (PubChem CID 24695043) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-N-quinolin-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-quinolin-2-ylbenzene-1,3-diamine
PubChem CID24695043
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name3-N-quinolin-2-ylbenzene-1,3-diamine
SMILESNc1cccc(Nc2ccc3ccccc3n2)c1
InChIInChI=1S/C15H13N3/c16-12-5-3-6-13(10-12)17-15-9-8-11-4-1-2-7-14(11)18-15/h1-10H,16H2,(H,17,18)
InChIKeyIWNHVHNSYXYQCI-UHFFFAOYSA-N
XLogP3.56
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.56
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 3-N-quinolin-2-ylbenzene-1,3-diamine?
The IUPAC name of 3-N-quinolin-2-ylbenzene-1,3-diamine (CID 24695043) is 3-N-quinolin-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-quinolin-2-ylbenzene-1,3-diamine?
The canonical SMILES for 3-N-quinolin-2-ylbenzene-1,3-diamine is Nc1cccc(Nc2ccc3ccccc3n2)c1.
What is the InChIKey of 3-N-quinolin-2-ylbenzene-1,3-diamine?
The InChIKey is IWNHVHNSYXYQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-12-5-3-6-13(10-12)17-15-9-8-11-4-1-2-7-14(11)18-15/h1-10H,16H2,(H,17,18).
What are the key properties of 3-N-quinolin-2-ylbenzene-1,3-diamine?
3-N-quinolin-2-ylbenzene-1,3-diamine has a molecular weight of 235.29 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-quinolin-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 24695043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).