2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine

C22H19BrN4 — CID 46850882

IUPAC2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine
SMILESBrc1cccc2c(NCc3ccccc3)nc(NCc3ccccc3)nc12
InChIInChI=1S/C22H19BrN4/c23-19-13-7-12-18-20(19)26-22(25-15-17-10-5-2-6-11-17)27-21(18)24-14-16-8-3-1-4-9-16/h1-13H,14-15H2,(H2,24,25,26,27)
InChIKeyHNPRRWNOZVZDLY-UHFFFAOYSA-N
MW419.33 g/mol
LogP5.62
Rot. Bonds6

About 2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine

2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine (PubChem CID 46850882) has the molecular formula C22H19BrN4 and a molecular weight of 419.33 g/mol. Its IUPAC name is 2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine
PubChem CID46850882
Molecular FormulaC22H19BrN4
Molecular Weight419.33 g/mol
Exact Mass418.08
IUPAC Name2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine
SMILESBrc1cccc2c(NCc3ccccc3)nc(NCc3ccccc3)nc12
InChIInChI=1S/C22H19BrN4/c23-19-13-7-12-18-20(19)26-22(25-15-17-10-5-2-6-11-17)27-21(18)24-14-16-8-3-1-4-9-16/h1-13H,14-15H2,(H2,24,25,26,27)
InChIKeyHNPRRWNOZVZDLY-UHFFFAOYSA-N
XLogP5.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.33
LogP ≤ 55.62
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-dibenzyl-8-bromoquinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine (CID 46850882) is 2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine is Brc1cccc2c(NCc3ccccc3)nc(NCc3ccccc3)nc12.
What is the InChIKey of 2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine?
The InChIKey is HNPRRWNOZVZDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4/c23-19-13-7-12-18-20(19)26-22(25-15-17-10-5-2-6-11-17)27-21(18)24-14-16-8-3-1-4-9-16/h1-13H,14-15H2,(H2,24,25,26,27).
What are the key properties of 2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine?
2-N,4-N-dibenzyl-8-bromoquinazoline-2,4-diamine has a molecular weight of 419.33 g/mol, XLogP of 5.62, 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-dibenzyl-8-bromoquinazoline-2,4-diamine is sourced from PubChem (CID 46850882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).