6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine

C15H10Cl3N3 — CID 64983231

IUPAC6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C15H10Cl3N3/c1-19-15-11-6-10(17)7-12(18)13(11)20-14(21-15)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,19,20,21)
InChIKeyRHVNDLJMIQAIQA-UHFFFAOYSA-N
MW338.63 g/mol
LogP5.30
Rot. Bonds2

About 6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine

6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine (PubChem CID 64983231) has the molecular formula C15H10Cl3N3 and a molecular weight of 338.63 g/mol. Its IUPAC name is 6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine
PubChem CID64983231
Molecular FormulaC15H10Cl3N3
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C15H10Cl3N3/c1-19-15-11-6-10(17)7-12(18)13(11)20-14(21-15)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,19,20,21)
InChIKeyRHVNDLJMIQAIQA-UHFFFAOYSA-N
XLogP5.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.63
LogP ≤ 55.30
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-(4-chlorophenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine (CID 64983231) is 6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine is CNc1nc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine?
The InChIKey is RHVNDLJMIQAIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3/c1-19-15-11-6-10(17)7-12(18)13(11)20-14(21-15)8-2-4-9(16)5-3-8/h2-7H,1H3,(H,19,20,21).
What are the key properties of 6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine?
6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine has a molecular weight of 338.63 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(4-chlorophenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 64983231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).