N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine

C15H17ClN6 — CID 70081663

IUPACN-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(-n2ccnc2)nc2cccc(Cl)c12
InChIInChI=1S/C15H17ClN6/c1-21(2)8-7-18-14-13-11(16)4-3-5-12(13)19-15(20-14)22-9-6-17-10-22/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyNROOSVZOVFSEPT-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.44
Rot. Bonds5

About N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine

N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 70081663) has the molecular formula C15H17ClN6 and a molecular weight of 316.80 g/mol. Its IUPAC name is N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID70081663
Molecular FormulaC15H17ClN6
Molecular Weight316.80 g/mol
Exact Mass316.12
IUPAC NameN-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(-n2ccnc2)nc2cccc(Cl)c12
InChIInChI=1S/C15H17ClN6/c1-21(2)8-7-18-14-13-11(16)4-3-5-12(13)19-15(20-14)22-9-6-17-10-22/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyNROOSVZOVFSEPT-UHFFFAOYSA-N
XLogP2.44
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine
CID 19392203
2-imidazol-1-yl-4-(2-phenylethyl)quinazolin-5-amine
CID 150286970
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698
3-chloro-N-hexyl-2-imidazol-1-ylaniline
CID 43673598
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
2-[2-[(2-imidazol-1-yl-6-methylquinazolin-4-yl)amino]ethoxy]ethanol
CID 19392307
N-benzyl-2,5-dichloroquinazolin-4-amine
CID 87550452
4-cyclohexyl-2-imidazol-1-yl-N-methylquinazolin-5-amine;dihydrochloride
CID 19392165
2-imidazol-1-yl-N-(2-methoxyethyl)-6-methylsulfonylquinazolin-4-amine
CID 19392342
N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine
CID 22080698

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 70081663) is N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc(-n2ccnc2)nc2cccc(Cl)c12.
What is the InChIKey of N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is NROOSVZOVFSEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6/c1-21(2)8-7-18-14-13-11(16)4-3-5-12(13)19-15(20-14)22-9-6-17-10-22/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 316.80 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-imidazol-1-ylquinazolin-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 70081663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).