4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline

C16H12Cl2N2 — CID 63496783

IUPAC4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline
SMILESCc1ccc(C)c(-c2nc(Cl)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C16H12Cl2N2/c1-9-3-4-10(2)12(7-9)16-19-14-6-5-11(17)8-13(14)15(18)20-16/h3-8H,1-2H3
InChIKeyAMGAYEIMFYDDHW-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.22
Rot. Bonds1

About 4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline

4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline (PubChem CID 63496783) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline.

Molecular Properties

Compound Name4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline
PubChem CID63496783
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline
SMILESCc1ccc(C)c(-c2nc(Cl)c3cc(Cl)ccc3n2)c1
InChIInChI=1S/C16H12Cl2N2/c1-9-3-4-10(2)12(7-9)16-19-14-6-5-11(17)8-13(14)15(18)20-16/h3-8H,1-2H3
InChIKeyAMGAYEIMFYDDHW-UHFFFAOYSA-N
XLogP5.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline?
The IUPAC name of 4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline (CID 63496783) is 4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline.
What is the SMILES notation for 4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline?
The canonical SMILES for 4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline is Cc1ccc(C)c(-c2nc(Cl)c3cc(Cl)ccc3n2)c1.
What is the InChIKey of 4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline?
The InChIKey is AMGAYEIMFYDDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c1-9-3-4-10(2)12(7-9)16-19-14-6-5-11(17)8-13(14)15(18)20-16/h3-8H,1-2H3.
What are the key properties of 4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline?
4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline has a molecular weight of 303.19 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline is sourced from PubChem (CID 63496783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).