4-N-(3-bromophenyl)quinazoline-4,6-diamine

C14H11BrN4 — CID 5328042

IUPAC4-N-(3-bromophenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
InChIKeyIZQHULBHKPGOAP-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.72
Rot. Bonds2

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

4-N-(3-bromophenyl)quinazoline-4,6-diamine (PubChem CID 5328042) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)quinazoline-4,6-diamine
PubChem CID5328042
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name4-N-(3-bromophenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
InChIKeyIZQHULBHKPGOAP-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'}

Analyze 4-N-(3-bromophenyl)quinazoline-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Aminoquinazoline
CID 84759
Pd 168393
CID 4708
Spautin-1
CID 51037431
Pd 158780
CID 4707
Smer 28
CID 1560402
2,4,6-Triaminoquinazoline
CID 292661
N-(4-((3-bromophenyl)amino)-6-quinazolinyl)-2-butynamide
CID 2776
(2E)-N-(4-((3-bromophenyl)amino)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide
CID 5328969
N-(4-m-Tolylamino-quinazolin-6-yl)-acrylamide
CID 9995195
N-(4-Phenylamino-quinazolin-6-YL)-acrylamide
CID 10401956
N-(3-bromophenyl)benzo[g]quinazolin-4-amine
CID 5328245
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)quinazoline-4,6-diamine (CID 5328042) is 4-N-(3-bromophenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1.
What is the InChIKey of 4-N-(3-bromophenyl)quinazoline-4,6-diamine?
The InChIKey is IZQHULBHKPGOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19).
What are the key properties of 4-N-(3-bromophenyl)quinazoline-4,6-diamine?
4-N-(3-bromophenyl)quinazoline-4,6-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-4,6-diamine is sourced from PubChem (CID 5328042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).