4-N-benzyl-2-phenylquinoline-4,6-diamine

C22H19N3 — CID 18439905

IUPAC4-N-benzyl-2-phenylquinoline-4,6-diamine
SMILESNc1ccc2nc(-c3ccccc3)cc(NCc3ccccc3)c2c1
InChIInChI=1S/C22H19N3/c23-18-11-12-20-19(13-18)22(24-15-16-7-3-1-4-8-16)14-21(25-20)17-9-5-2-6-10-17/h1-14H,15,23H2,(H,24,25)
InChIKeyMZIXJFYPAKODPO-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.10
Rot. Bonds4

About 4-N-benzyl-2-phenylquinoline-4,6-diamine

4-N-benzyl-2-phenylquinoline-4,6-diamine (PubChem CID 18439905) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-N-benzyl-2-phenylquinoline-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-phenylquinoline-4,6-diamine
PubChem CID18439905
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name4-N-benzyl-2-phenylquinoline-4,6-diamine
SMILESNc1ccc2nc(-c3ccccc3)cc(NCc3ccccc3)c2c1
InChIInChI=1S/C22H19N3/c23-18-11-12-20-19(13-18)22(24-15-16-7-3-1-4-8-16)14-21(25-20)17-9-5-2-6-10-17/h1-14H,15,23H2,(H,24,25)
InChIKeyMZIXJFYPAKODPO-UHFFFAOYSA-N
XLogP5.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.10
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-benzyl-2-phenylquinoline-4,6-diamine?
The IUPAC name of 4-N-benzyl-2-phenylquinoline-4,6-diamine (CID 18439905) is 4-N-benzyl-2-phenylquinoline-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-2-phenylquinoline-4,6-diamine?
The canonical SMILES for 4-N-benzyl-2-phenylquinoline-4,6-diamine is Nc1ccc2nc(-c3ccccc3)cc(NCc3ccccc3)c2c1.
What is the InChIKey of 4-N-benzyl-2-phenylquinoline-4,6-diamine?
The InChIKey is MZIXJFYPAKODPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c23-18-11-12-20-19(13-18)22(24-15-16-7-3-1-4-8-16)14-21(25-20)17-9-5-2-6-10-17/h1-14H,15,23H2,(H,24,25).
What are the key properties of 4-N-benzyl-2-phenylquinoline-4,6-diamine?
4-N-benzyl-2-phenylquinoline-4,6-diamine has a molecular weight of 325.42 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-phenylquinoline-4,6-diamine is sourced from PubChem (CID 18439905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).