8-naphthalen-1-ylquinoline-2,6-diamine

C19H15N3 — CID 89148746

IUPAC8-naphthalen-1-ylquinoline-2,6-diamine
SMILESNc1cc(-c2cccc3ccccc23)c2nc(N)ccc2c1
InChIInChI=1S/C19H15N3/c20-14-10-13-8-9-18(21)22-19(13)17(11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,20H2,(H2,21,22)
InChIKeyDFBWQNCAOXBFDH-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.22
Rot. Bonds1

About 8-naphthalen-1-ylquinoline-2,6-diamine

8-naphthalen-1-ylquinoline-2,6-diamine (PubChem CID 89148746) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 8-naphthalen-1-ylquinoline-2,6-diamine.

Molecular Properties

Compound Name8-naphthalen-1-ylquinoline-2,6-diamine
PubChem CID89148746
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name8-naphthalen-1-ylquinoline-2,6-diamine
SMILESNc1cc(-c2cccc3ccccc23)c2nc(N)ccc2c1
InChIInChI=1S/C19H15N3/c20-14-10-13-8-9-18(21)22-19(13)17(11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,20H2,(H2,21,22)
InChIKeyDFBWQNCAOXBFDH-UHFFFAOYSA-N
XLogP4.22
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.22
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 8-naphthalen-1-ylquinoline-2,6-diamine?
The IUPAC name of 8-naphthalen-1-ylquinoline-2,6-diamine (CID 89148746) is 8-naphthalen-1-ylquinoline-2,6-diamine.
What is the SMILES notation for 8-naphthalen-1-ylquinoline-2,6-diamine?
The canonical SMILES for 8-naphthalen-1-ylquinoline-2,6-diamine is Nc1cc(-c2cccc3ccccc23)c2nc(N)ccc2c1.
What is the InChIKey of 8-naphthalen-1-ylquinoline-2,6-diamine?
The InChIKey is DFBWQNCAOXBFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c20-14-10-13-8-9-18(21)22-19(13)17(11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,20H2,(H2,21,22).
What are the key properties of 8-naphthalen-1-ylquinoline-2,6-diamine?
8-naphthalen-1-ylquinoline-2,6-diamine has a molecular weight of 285.35 g/mol, XLogP of 4.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-1-ylquinoline-2,6-diamine is sourced from PubChem (CID 89148746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).