N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride

C18H19Cl3N4 — CID 18593626

IUPACN-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCN(C)CCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12.Cl
InChIInChI=1S/C18H18Cl2N4.ClH/c1-24(2)10-9-21-17-14-5-3-4-6-16(14)22-18(23-17)13-8-7-12(19)11-15(13)20;/h3-8,11H,9-10H2,1-2H3,(H,21,22,23);1H
InChIKeyVJBYTFNEHCAWOJ-UHFFFAOYSA-N
MW397.74 g/mol
LogP5.00
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride

N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 18593626) has the molecular formula C18H19Cl3N4 and a molecular weight of 397.74 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
PubChem CID18593626
Molecular FormulaC18H19Cl3N4
Molecular Weight397.74 g/mol
Exact Mass396.07
IUPAC NameN-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCN(C)CCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12.Cl
InChIInChI=1S/C18H18Cl2N4.ClH/c1-24(2)10-9-21-17-14-5-3-4-6-16(14)22-18(23-17)13-8-7-12(19)11-15(13)20;/h3-8,11H,9-10H2,1-2H3,(H,21,22,23);1H
InChIKeyVJBYTFNEHCAWOJ-UHFFFAOYSA-N
XLogP5.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.74
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride (CID 18593626) is N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride is CN(C)CCNc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12.Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride?
The InChIKey is VJBYTFNEHCAWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4.ClH/c1-24(2)10-9-21-17-14-5-3-4-6-16(14)22-18(23-17)13-8-7-12(19)11-15(13)20;/h3-8,11H,9-10H2,1-2H3,(H,21,22,23);1H.
What are the key properties of N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride?
N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 397.74 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 18593626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).