4-N-(3-bromophenyl)quinazoline-4,8-diamine

C14H11BrN4 — CID 5328048

IUPAC4-N-(3-bromophenyl)quinazoline-4,8-diamine
SMILESNc1cccc2c(Nc3cccc(Br)c3)ncnc12
InChIInChI=1S/C14H11BrN4/c15-9-3-1-4-10(7-9)19-14-11-5-2-6-12(16)13(11)17-8-18-14/h1-8H,16H2,(H,17,18,19)
InChIKeyWQZUDZYVETUDRB-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.72
Rot. Bonds2

About 4-N-(3-bromophenyl)quinazoline-4,8-diamine

4-N-(3-bromophenyl)quinazoline-4,8-diamine (PubChem CID 5328048) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)quinazoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)quinazoline-4,8-diamine
PubChem CID5328048
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name4-N-(3-bromophenyl)quinazoline-4,8-diamine
SMILESNc1cccc2c(Nc3cccc(Br)c3)ncnc12
InChIInChI=1S/C14H11BrN4/c15-9-3-1-4-10(7-9)19-14-11-5-2-6-12(16)13(11)17-8-18-14/h1-8H,16H2,(H,17,18,19)
InChIKeyWQZUDZYVETUDRB-UHFFFAOYSA-N
XLogP3.72
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)quinazoline-4,8-diamine?
The IUPAC name of 4-N-(3-bromophenyl)quinazoline-4,8-diamine (CID 5328048) is 4-N-(3-bromophenyl)quinazoline-4,8-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)quinazoline-4,8-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)quinazoline-4,8-diamine is Nc1cccc2c(Nc3cccc(Br)c3)ncnc12.
What is the InChIKey of 4-N-(3-bromophenyl)quinazoline-4,8-diamine?
The InChIKey is WQZUDZYVETUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-9-3-1-4-10(7-9)19-14-11-5-2-6-12(16)13(11)17-8-18-14/h1-8H,16H2,(H,17,18,19).
What are the key properties of 4-N-(3-bromophenyl)quinazoline-4,8-diamine?
4-N-(3-bromophenyl)quinazoline-4,8-diamine has a molecular weight of 315.17 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)quinazoline-4,8-diamine is sourced from PubChem (CID 5328048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).