4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine

C20H16BrN7 — CID 10938977

IUPAC4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine
SMILESBrc1cccc(Nc2ncnc3ccc(N/N=N/Cc4ccccn4)cc23)c1
InChIInChI=1S/C20H16BrN7/c21-14-4-3-6-15(10-14)26-20-18-11-16(7-8-19(18)23-13-24-20)27-28-25-12-17-5-1-2-9-22-17/h1-11,13H,12H2,(H,25,27)(H,23,24,26)
InChIKeyASHLBSIWNNFRBC-UHFFFAOYSA-N
MW434.30 g/mol
LogP5.51
Rot. Bonds6

About 4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine

4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine (PubChem CID 10938977) has the molecular formula C20H16BrN7 and a molecular weight of 434.30 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine
PubChem CID10938977
Molecular FormulaC20H16BrN7
Molecular Weight434.30 g/mol
Exact Mass433.07
IUPAC Name4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine
SMILESBrc1cccc(Nc2ncnc3ccc(N/N=N/Cc4ccccn4)cc23)c1
InChIInChI=1S/C20H16BrN7/c21-14-4-3-6-15(10-14)26-20-18-11-16(7-8-19(18)23-13-24-20)27-28-25-12-17-5-1-2-9-22-17/h1-11,13H,12H2,(H,25,27)(H,23,24,26)
InChIKeyASHLBSIWNNFRBC-UHFFFAOYSA-N
XLogP5.51
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.30
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine (CID 10938977) is 4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine is Brc1cccc(Nc2ncnc3ccc(N/N=N/Cc4ccccn4)cc23)c1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine?
The InChIKey is ASHLBSIWNNFRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN7/c21-14-4-3-6-15(10-14)26-20-18-11-16(7-8-19(18)23-13-24-20)27-28-25-12-17-5-1-2-9-22-17/h1-11,13H,12H2,(H,25,27)(H,23,24,26).
What are the key properties of 4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine?
4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine has a molecular weight of 434.30 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-N-(pyridin-2-ylmethyldiazenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 10938977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).