4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine

C22H20N4 — CID 929548

IUPAC4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H20N4/c1-16-11-13-18(14-12-16)24-22-25-20-10-6-5-9-19(20)21(26-22)23-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H2,23,24,25,26)
InChIKeyXJOSYDAHJXGWCG-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.29
Rot. Bonds5

About 4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine

4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine (PubChem CID 929548) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine
PubChem CID929548
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine
SMILESCc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H20N4/c1-16-11-13-18(14-12-16)24-22-25-20-10-6-5-9-19(20)21(26-22)23-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H2,23,24,25,26)
InChIKeyXJOSYDAHJXGWCG-UHFFFAOYSA-N
XLogP5.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.29
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-(4-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine (CID 929548) is 4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine is Cc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is XJOSYDAHJXGWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-16-11-13-18(14-12-16)24-22-25-20-10-6-5-9-19(20)21(26-22)23-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine?
4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 340.43 g/mol, XLogP of 5.29, 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-(4-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 929548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).