4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline

C15H10BrClN2O — CID 106584473

IUPAC4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline
SMILESCc1nc(Br)c2cc(Oc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C15H10BrClN2O/c1-9-18-14-7-6-12(8-13(14)15(16)19-9)20-11-4-2-10(17)3-5-11/h2-8H,1H3
InChIKeySRFPAFCMRXBDRP-UHFFFAOYSA-N
MW349.62 g/mol
LogP5.15
Rot. Bonds2

About 4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline

4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline (PubChem CID 106584473) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline.

Molecular Properties

Compound Name4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline
PubChem CID106584473
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline
SMILESCc1nc(Br)c2cc(Oc3ccc(Cl)cc3)ccc2n1
InChIInChI=1S/C15H10BrClN2O/c1-9-18-14-7-6-12(8-13(14)15(16)19-9)20-11-4-2-10(17)3-5-11/h2-8H,1H3
InChIKeySRFPAFCMRXBDRP-UHFFFAOYSA-N
XLogP5.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.62
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline?
The IUPAC name of 4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline (CID 106584473) is 4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline.
What is the SMILES notation for 4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline?
The canonical SMILES for 4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline is Cc1nc(Br)c2cc(Oc3ccc(Cl)cc3)ccc2n1.
What is the InChIKey of 4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline?
The InChIKey is SRFPAFCMRXBDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c1-9-18-14-7-6-12(8-13(14)15(16)19-9)20-11-4-2-10(17)3-5-11/h2-8H,1H3.
What are the key properties of 4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline?
4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline has a molecular weight of 349.62 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline is sourced from PubChem (CID 106584473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).