4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine

C18H20ClN7 — CID 11326156

IUPAC4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine
SMILESCN(C)CC/N=N/Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C18H20ClN7/c1-26(2)9-8-22-25-24-15-6-7-17-16(11-15)18(21-12-20-17)23-14-5-3-4-13(19)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyGOVBHWZRXMKGIA-UHFFFAOYSA-N
MW369.86 g/mol
LogP4.37
Rot. Bonds7

About 4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine

4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine (PubChem CID 11326156) has the molecular formula C18H20ClN7 and a molecular weight of 369.86 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine
PubChem CID11326156
Molecular FormulaC18H20ClN7
Molecular Weight369.86 g/mol
Exact Mass369.15
IUPAC Name4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine
SMILESCN(C)CC/N=N/Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C18H20ClN7/c1-26(2)9-8-22-25-24-15-6-7-17-16(11-15)18(21-12-20-17)23-14-5-3-4-13(19)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyGOVBHWZRXMKGIA-UHFFFAOYSA-N
XLogP4.37
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 54.37
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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Related Compounds

AV-412 free base
CID 9806229
N-(4-(3-Chloro-4-fluorophenylamino)quinazolin-6-yl)acrylamide
CID 9974694
4-(3-Chloroanilino)quinazoline
CID 128872
Tcmdc-123784
CID 5081716
N1-(7-chloroquinolin-4-yl)-N3-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)propane-1,3-diamine
CID 70684938
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
N4-Phenylquinazoline-4,6-diamine
CID 5328187
6-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 5328819
6-Amino-4-[(3-methylphenyl)amino]quinazoline
CID 10220590
N-(3-chlorophenyl)-6-nitroquinazolin-4-amine
CID 11695129
N4-(3-chlorophenyl)quinazoline-4,6-diamine
CID 11807783
N-(3-chlorophenyl)-6-fluoroquinazolin-4-amine
CID 24991329

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine (CID 11326156) is 4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine is CN(C)CC/N=N/Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine?
The InChIKey is GOVBHWZRXMKGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7/c1-26(2)9-8-22-25-24-15-6-7-17-16(11-15)18(21-12-20-17)23-14-5-3-4-13(19)10-14/h3-7,10-12H,8-9H2,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of 4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine?
4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine has a molecular weight of 369.86 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-6-N-[2-(dimethylamino)ethyldiazenyl]quinazoline-4,6-diamine is sourced from PubChem (CID 11326156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).