2-N,4-N-dibenzylquinazoline-2,4-diamine

C22H20N4 — CID 676352

IUPAC2-N,4-N-dibenzylquinazoline-2,4-diamine
SMILESc1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H20N4/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)25-22(26-21)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,23,24,25,26)
InChIKeyQAIMUUJJAJBPCL-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.85
Rot. Bonds6

About 2-N,4-N-dibenzylquinazoline-2,4-diamine

2-N,4-N-dibenzylquinazoline-2,4-diamine (PubChem CID 676352) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-N,4-N-dibenzylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibenzylquinazoline-2,4-diamine
PubChem CID676352
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name2-N,4-N-dibenzylquinazoline-2,4-diamine
SMILESc1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C22H20N4/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)25-22(26-21)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,23,24,25,26)
InChIKeyQAIMUUJJAJBPCL-UHFFFAOYSA-N
XLogP4.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibenzylquinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-dibenzylquinazoline-2,4-diamine (CID 676352) is 2-N,4-N-dibenzylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibenzylquinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibenzylquinazoline-2,4-diamine is c1ccc(CNc2nc(NCc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-N,4-N-dibenzylquinazoline-2,4-diamine?
The InChIKey is QAIMUUJJAJBPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)25-22(26-21)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,23,24,25,26).
What are the key properties of 2-N,4-N-dibenzylquinazoline-2,4-diamine?
2-N,4-N-dibenzylquinazoline-2,4-diamine has a molecular weight of 340.43 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibenzylquinazoline-2,4-diamine is sourced from PubChem (CID 676352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).