4-N-benzyl-2-N-phenylquinazoline-2,4-diamine

C21H18N4 — CID 805487

IUPAC4-N-benzyl-2-N-phenylquinazoline-2,4-diamine
SMILESc1ccc(CNc2nc(Nc3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-22-20-18-13-7-8-14-19(18)24-21(25-20)23-17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25)
InChIKeyTZQBMINEPXWUBX-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.99
Rot. Bonds5

About 4-N-benzyl-2-N-phenylquinazoline-2,4-diamine

4-N-benzyl-2-N-phenylquinazoline-2,4-diamine (PubChem CID 805487) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-N-benzyl-2-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-phenylquinazoline-2,4-diamine
PubChem CID805487
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name4-N-benzyl-2-N-phenylquinazoline-2,4-diamine
SMILESc1ccc(CNc2nc(Nc3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-22-20-18-13-7-8-14-19(18)24-21(25-20)23-17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25)
InChIKeyTZQBMINEPXWUBX-UHFFFAOYSA-N
XLogP4.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-phenylquinazoline-2,4-diamine (CID 805487) is 4-N-benzyl-2-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-phenylquinazoline-2,4-diamine is c1ccc(CNc2nc(Nc3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 4-N-benzyl-2-N-phenylquinazoline-2,4-diamine?
The InChIKey is TZQBMINEPXWUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-3-9-16(10-4-1)15-22-20-18-13-7-8-14-19(18)24-21(25-20)23-17-11-5-2-6-12-17/h1-14H,15H2,(H2,22,23,24,25).
What are the key properties of 4-N-benzyl-2-N-phenylquinazoline-2,4-diamine?
4-N-benzyl-2-N-phenylquinazoline-2,4-diamine has a molecular weight of 326.40 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 805487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).