N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine

C20H18Cl2N6 — CID 20772113

IUPACN,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)c1nc(Cl)c2ccccc2n1)c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C20H18Cl2N6/c1-27(19-23-15-9-5-3-7-13(15)17(21)25-19)11-12-28(2)20-24-16-10-6-4-8-14(16)18(22)26-20/h3-10H,11-12H2,1-2H3
InChIKeyGLGYAYNJBPLKPH-UHFFFAOYSA-N
MW413.31 g/mol
LogP4.45
Rot. Bonds5

About N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine

N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 20772113) has the molecular formula C20H18Cl2N6 and a molecular weight of 413.31 g/mol. Its IUPAC name is N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID20772113
Molecular FormulaC20H18Cl2N6
Molecular Weight413.31 g/mol
Exact Mass412.10
IUPAC NameN,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)c1nc(Cl)c2ccccc2n1)c1nc(Cl)c2ccccc2n1
InChIInChI=1S/C20H18Cl2N6/c1-27(19-23-15-9-5-3-7-13(15)17(21)25-19)11-12-28(2)20-24-16-10-6-4-8-14(16)18(22)26-20/h3-10H,11-12H2,1-2H3
InChIKeyGLGYAYNJBPLKPH-UHFFFAOYSA-N
XLogP4.45
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Nsc343227
CID 335083
4-Chloroquinazoline
CID 78864
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
Ezurpimtrostat
CID 121305180
4-(4-Methylpiperazin-1-yl)quinazoline
CID 21029584
N-(2-aminoethyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-amine
CID 25190632
2-(4-Methylpiperazin-1-yl)quinazolin-4-amine
CID 1403136
N-(6-Chloro-4-phenyl-quinazolin-2-yl)-guanidine
CID 24746808
N-(1-phenylethyl)-2-(piperidin-1-yl)quinazolin-4-amine
CID 2956995
4-(2-(1-Benzylpiperidin-4-yl)ethyl)quinazoline
CID 10404467

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine (CID 20772113) is N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)c1nc(Cl)c2ccccc2n1)c1nc(Cl)c2ccccc2n1.
What is the InChIKey of N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is GLGYAYNJBPLKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N6/c1-27(19-23-15-9-5-3-7-13(15)17(21)25-19)11-12-28(2)20-24-16-10-6-4-8-14(16)18(22)26-20/h3-10H,11-12H2,1-2H3.
What are the key properties of N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine?
N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 413.31 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 20772113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).