4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline

C16H12Cl2N2O — CID 63085689

IUPAC4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline
SMILESCOc1ccc(C)cc1-c1nc(Cl)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H12Cl2N2O/c1-9-3-6-14(21-2)12(7-9)16-19-13-5-4-10(17)8-11(13)15(18)20-16/h3-8H,1-2H3
InChIKeyUSWGDYRFFLHRGK-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.92
Rot. Bonds2

About 4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline

4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline (PubChem CID 63085689) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline.

Molecular Properties

Compound Name4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline
PubChem CID63085689
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline
SMILESCOc1ccc(C)cc1-c1nc(Cl)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H12Cl2N2O/c1-9-3-6-14(21-2)12(7-9)16-19-13-5-4-10(17)8-11(13)15(18)20-16/h3-8H,1-2H3
InChIKeyUSWGDYRFFLHRGK-UHFFFAOYSA-N
XLogP4.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline?
The IUPAC name of 4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline (CID 63085689) is 4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline.
What is the SMILES notation for 4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline?
The canonical SMILES for 4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline is COc1ccc(C)cc1-c1nc(Cl)c2cc(Cl)ccc2n1.
What is the InChIKey of 4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline?
The InChIKey is USWGDYRFFLHRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-3-6-14(21-2)12(7-9)16-19-13-5-4-10(17)8-11(13)15(18)20-16/h3-8H,1-2H3.
What are the key properties of 4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline?
4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline has a molecular weight of 319.19 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2-methoxy-5-methylphenyl)quinazoline is sourced from PubChem (CID 63085689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).