4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline

C19H12BrN3O — CID 31525234

IUPAC4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline
SMILESBrc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C19H12BrN3O/c20-14-5-7-15(8-6-14)24-19-16-3-1-2-4-17(16)22-18(23-19)13-9-11-21-12-10-13/h1-12H
InChIKeyULGNUMDIEFWXCT-UHFFFAOYSA-N
MW378.23 g/mol
LogP5.25
Rot. Bonds3

About 4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline

4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline (PubChem CID 31525234) has the molecular formula C19H12BrN3O and a molecular weight of 378.23 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline
PubChem CID31525234
Molecular FormulaC19H12BrN3O
Molecular Weight378.23 g/mol
Exact Mass377.02
IUPAC Name4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline
SMILESBrc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C19H12BrN3O/c20-14-5-7-15(8-6-14)24-19-16-3-1-2-4-17(16)22-18(23-19)13-9-11-21-12-10-13/h1-12H
InChIKeyULGNUMDIEFWXCT-UHFFFAOYSA-N
XLogP5.25
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.23
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline with MolForge

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

Launch Full Analysis

Related Compounds

CID 5328254
CID 5328254
CID 877998
CID 877998
CID 9976219
CID 9976219
CID 10316876
CID 10316876
CID 10338944
CID 10338944
CID 10406635
CID 10406635
CID 10429018
CID 10429018
CID 23644667
CID 23644667
CID 719310
CID 719310
CID 872375
CID 872375
CID 217674
CID 217674
CID 5328018
CID 5328018

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline?
The IUPAC name of 4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline (CID 31525234) is 4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline is Brc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline?
The InChIKey is ULGNUMDIEFWXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O/c20-14-5-7-15(8-6-14)24-19-16-3-1-2-4-17(16)22-18(23-19)13-9-11-21-12-10-13/h1-12H.
What are the key properties of 4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline?
4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline has a molecular weight of 378.23 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 31525234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).