2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine

C24H24N4O2 — CID 5276745

IUPAC2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2cc1OC
InChIInChI=1S/C24H24N4O2/c1-29-21-13-19-20(14-22(21)30-2)27-24(26-16-18-11-7-4-8-12-18)28-23(19)25-15-17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3,(H2,25,26,27,28)
InChIKeySTQSBKDQCROVAA-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.87
Rot. Bonds8

About 2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine

2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine (PubChem CID 5276745) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine
PubChem CID5276745
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2cc1OC
InChIInChI=1S/C24H24N4O2/c1-29-21-13-19-20(14-22(21)30-2)27-24(26-16-18-11-7-4-8-12-18)28-23(19)25-15-17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3,(H2,25,26,27,28)
InChIKeySTQSBKDQCROVAA-UHFFFAOYSA-N
XLogP4.87
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine (CID 5276745) is 2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine is COc1cc2nc(NCc3ccccc3)nc(NCc3ccccc3)c2cc1OC.
What is the InChIKey of 2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine?
The InChIKey is STQSBKDQCROVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-29-21-13-19-20(14-22(21)30-2)27-24(26-16-18-11-7-4-8-12-18)28-23(19)25-15-17-9-5-3-6-10-17/h3-14H,15-16H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine?
2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine has a molecular weight of 400.48 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibenzyl-6,7-dimethoxyquinazoline-2,4-diamine is sourced from PubChem (CID 5276745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).