6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine

C16H13Cl2N3 — CID 64983930

IUPAC6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
SMILESCNc1nc(-c2ccccc2C)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H13Cl2N3/c1-9-5-3-4-6-11(9)16-20-14-12(15(19-2)21-16)7-10(17)8-13(14)18/h3-8H,1-2H3,(H,19,20,21)
InChIKeyRXVDKFPARNDYJL-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.95
Rot. Bonds2

About 6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine

6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine (PubChem CID 64983930) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
PubChem CID64983930
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
SMILESCNc1nc(-c2ccccc2C)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H13Cl2N3/c1-9-5-3-4-6-11(9)16-20-14-12(15(19-2)21-16)7-10(17)8-13(14)18/h3-8H,1-2H3,(H,19,20,21)
InChIKeyRXVDKFPARNDYJL-UHFFFAOYSA-N
XLogP4.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine?
The IUPAC name of 6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine (CID 64983930) is 6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine is CNc1nc(-c2ccccc2C)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine?
The InChIKey is RXVDKFPARNDYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-9-5-3-4-6-11(9)16-20-14-12(15(19-2)21-16)7-10(17)8-13(14)18/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine?
6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine has a molecular weight of 318.21 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-methyl-2-(2-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 64983930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).