4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline

C14H6BrCl3N2O — CID 107657835

IUPAC4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline
SMILESClc1nc(Oc2cc(Cl)c(Br)cc2Cl)c2ccccc2n1
InChIInChI=1S/C14H6BrCl3N2O/c15-8-5-10(17)12(6-9(8)16)21-13-7-3-1-2-4-11(7)19-14(18)20-13/h1-6H
InChIKeyHSVPOWZHKXVUOS-UHFFFAOYSA-N
MW404.48 g/mol
LogP6.14
Rot. Bonds2

About 4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline

4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline (PubChem CID 107657835) has the molecular formula C14H6BrCl3N2O and a molecular weight of 404.48 g/mol. Its IUPAC name is 4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline.

Molecular Properties

Compound Name4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline
PubChem CID107657835
Molecular FormulaC14H6BrCl3N2O
Molecular Weight404.48 g/mol
Exact Mass401.87
IUPAC Name4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline
SMILESClc1nc(Oc2cc(Cl)c(Br)cc2Cl)c2ccccc2n1
InChIInChI=1S/C14H6BrCl3N2O/c15-8-5-10(17)12(6-9(8)16)21-13-7-3-1-2-4-11(7)19-14(18)20-13/h1-6H
InChIKeyHSVPOWZHKXVUOS-UHFFFAOYSA-N
XLogP6.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline 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-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline?
The IUPAC name of 4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline (CID 107657835) is 4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline.
What is the SMILES notation for 4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline?
The canonical SMILES for 4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline is Clc1nc(Oc2cc(Cl)c(Br)cc2Cl)c2ccccc2n1.
What is the InChIKey of 4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline?
The InChIKey is HSVPOWZHKXVUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrCl3N2O/c15-8-5-10(17)12(6-9(8)16)21-13-7-3-1-2-4-11(7)19-14(18)20-13/h1-6H.
What are the key properties of 4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline?
4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline has a molecular weight of 404.48 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,5-dichlorophenoxy)-2-chloroquinazoline is sourced from PubChem (CID 107657835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).