4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine

C14H10Cl2N4 — CID 65337053

IUPAC4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(Nc3cccc(Cl)c3Cl)ncnc2c1
InChIInChI=1S/C14H10Cl2N4/c15-10-2-1-3-11(13(10)16)20-14-9-5-4-8(17)6-12(9)18-7-19-14/h1-7H,17H2,(H,18,19,20)
InChIKeyYWMZCBOAUHILDG-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.26
Rot. Bonds2

About 4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine

4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine (PubChem CID 65337053) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine
PubChem CID65337053
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine
SMILESNc1ccc2c(Nc3cccc(Cl)c3Cl)ncnc2c1
InChIInChI=1S/C14H10Cl2N4/c15-10-2-1-3-11(13(10)16)20-14-9-5-4-8(17)6-12(9)18-7-19-14/h1-7H,17H2,(H,18,19,20)
InChIKeyYWMZCBOAUHILDG-UHFFFAOYSA-N
XLogP4.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
CID 103000343
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
4-N-(4-chloro-2-fluorophenyl)quinazoline-4,7-diamine
CID 65336921
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547040
4-N-(4-bromo-2,3-dichlorophenyl)quinazoline-4,6-diamine
CID 107786960
N-(2,3-dichlorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80916872
4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19146842
4-N-(2,4,6-trimethylphenyl)quinazoline-4,7-diamine
CID 141449290
4-N-thiophen-3-ylquinazoline-4,7-diamine
CID 66352541
4-N-(2,3-dichlorophenyl)quinazoline-2,4-diamine
CID 80755119

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine (CID 65337053) is 4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine is Nc1ccc2c(Nc3cccc(Cl)c3Cl)ncnc2c1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine?
The InChIKey is YWMZCBOAUHILDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-10-2-1-3-11(13(10)16)20-14-9-5-4-8(17)6-12(9)18-7-19-14/h1-7H,17H2,(H,18,19,20).
What are the key properties of 4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine?
4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine has a molecular weight of 305.17 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)quinazoline-4,7-diamine is sourced from PubChem (CID 65337053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).