2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline

C16H12Cl2N2O — CID 63505956

IUPAC2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline
SMILESCc1cc(Cl)cc(C)c1Oc1nc(Cl)nc2ccccc12
InChIInChI=1S/C16H12Cl2N2O/c1-9-7-11(17)8-10(2)14(9)21-15-12-5-3-4-6-13(12)19-16(18)20-15/h3-8H,1-2H3
InChIKeyADUYHYBWUUXJJS-UHFFFAOYSA-N
MW319.19 g/mol
LogP5.35
Rot. Bonds2

About 2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline

2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline (PubChem CID 63505956) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline
PubChem CID63505956
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline
SMILESCc1cc(Cl)cc(C)c1Oc1nc(Cl)nc2ccccc12
InChIInChI=1S/C16H12Cl2N2O/c1-9-7-11(17)8-10(2)14(9)21-15-12-5-3-4-6-13(12)19-16(18)20-15/h3-8H,1-2H3
InChIKeyADUYHYBWUUXJJS-UHFFFAOYSA-N
XLogP5.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.19
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline?
The IUPAC name of 2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline (CID 63505956) is 2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline.
What is the SMILES notation for 2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline?
The canonical SMILES for 2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline is Cc1cc(Cl)cc(C)c1Oc1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline?
The InChIKey is ADUYHYBWUUXJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-7-11(17)8-10(2)14(9)21-15-12-5-3-4-6-13(12)19-16(18)20-15/h3-8H,1-2H3.
What are the key properties of 2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline?
2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline has a molecular weight of 319.19 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-2,6-dimethylphenoxy)quinazoline is sourced from PubChem (CID 63505956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).