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

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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).