4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine

C14H9BrCl2N4 — CID 107786960

IUPAC4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(Br)c(Cl)c3Cl)c2c1
InChIInChI=1S/C14H9BrCl2N4/c15-9-2-4-11(13(17)12(9)16)21-14-8-5-7(18)1-3-10(8)19-6-20-14/h1-6H,18H2,(H,19,20,21)
InChIKeyYXCYDEAQSGPBAO-UHFFFAOYSA-N
MW384.06 g/mol
LogP5.02
Rot. Bonds2

About 4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine

4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine (PubChem CID 107786960) has the molecular formula C14H9BrCl2N4 and a molecular weight of 384.06 g/mol. Its IUPAC name is 4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine
PubChem CID107786960
Molecular FormulaC14H9BrCl2N4
Molecular Weight384.06 g/mol
Exact Mass381.94
IUPAC Name4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine
SMILESNc1ccc2ncnc(Nc3ccc(Br)c(Cl)c3Cl)c2c1
InChIInChI=1S/C14H9BrCl2N4/c15-9-2-4-11(13(17)12(9)16)21-14-8-5-7(18)1-3-10(8)19-6-20-14/h1-6H,18H2,(H,19,20,21)
InChIKeyYXCYDEAQSGPBAO-UHFFFAOYSA-N
XLogP5.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.06
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-N-(4-bromo-2,3-dichlorophenyl)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-N-(4-chloro-2-iodophenyl)quinazoline-4,6-diamine
CID 107634128
4-N-(2-fluorophenyl)quinazoline-4,6-diamine
CID 11379777
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methoxypyrimidin-4-amine
CID 107792305
2-N-(4-bromo-2,3-dichlorophenyl)-5-chloropyridine-2,3-diamine
CID 114001533
4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine
CID 65337053
4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 107643406
4-N-(4-fluorophenyl)quinazoline-4,6-diamine
CID 64590257
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
1-N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzene-1,4-diamine
CID 114001530
4-N-(3-fluoro-5-methylphenyl)quinazoline-4,6-diamine
CID 79048465
6-N-(4-bromo-2,3-dichlorophenyl)quinoline-5,6-diamine
CID 107787021

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine (CID 107786960) is 4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine is Nc1ccc2ncnc(Nc3ccc(Br)c(Cl)c3Cl)c2c1.
What is the InChIKey of 4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine?
The InChIKey is YXCYDEAQSGPBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2N4/c15-9-2-4-11(13(17)12(9)16)21-14-8-5-7(18)1-3-10(8)19-6-20-14/h1-6H,18H2,(H,19,20,21).
What are the key properties of 4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine?
4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine has a molecular weight of 384.06 g/mol, XLogP of 5.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine is sourced from PubChem (CID 107786960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).