6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine

C15H10Cl3N3 — CID 64983474

IUPAC6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(Cl)cc(Cl)c3n2)cc1Cl
InChIInChI=1S/C15H10Cl3N3/c1-7-2-3-8(4-11(7)17)15-20-13-10(14(19)21-15)5-9(16)6-12(13)18/h2-6H,1H3,(H2,19,20,21)
InChIKeyDOYGOLYEJPOFMW-UHFFFAOYSA-N
MW338.63 g/mol
LogP5.15
Rot. Bonds1

About 6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine

6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine (PubChem CID 64983474) has the molecular formula C15H10Cl3N3 and a molecular weight of 338.63 g/mol. Its IUPAC name is 6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine
PubChem CID64983474
Molecular FormulaC15H10Cl3N3
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(Cl)cc(Cl)c3n2)cc1Cl
InChIInChI=1S/C15H10Cl3N3/c1-7-2-3-8(4-11(7)17)15-20-13-10(14(19)21-15)5-9(16)6-12(13)18/h2-6H,1H3,(H2,19,20,21)
InChIKeyDOYGOLYEJPOFMW-UHFFFAOYSA-N
XLogP5.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.63
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine?
The IUPAC name of 6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine (CID 64983474) is 6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine is Cc1ccc(-c2nc(N)c3cc(Cl)cc(Cl)c3n2)cc1Cl.
What is the InChIKey of 6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine?
The InChIKey is DOYGOLYEJPOFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3/c1-7-2-3-8(4-11(7)17)15-20-13-10(14(19)21-15)5-9(16)6-12(13)18/h2-6H,1H3,(H2,19,20,21).
What are the key properties of 6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine?
6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine has a molecular weight of 338.63 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(3-chloro-4-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 64983474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).