6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline

C16H10Br2N2O3 — CID 112769880

IUPAC6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline
SMILESBrc1ccc2ncnc(OCc3cc4c(cc3Br)OCO4)c2c1
InChIInChI=1S/C16H10Br2N2O3/c17-10-1-2-13-11(4-10)16(20-7-19-13)21-6-9-3-14-15(5-12(9)18)23-8-22-14/h1-5,7H,6,8H2
InChIKeySWADBXBZVGHONY-UHFFFAOYSA-N
MW438.08 g/mol
LogP4.46
Rot. Bonds3

About 6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline

6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline (PubChem CID 112769880) has the molecular formula C16H10Br2N2O3 and a molecular weight of 438.08 g/mol. Its IUPAC name is 6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline.

Molecular Properties

Compound Name6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline
PubChem CID112769880
Molecular FormulaC16H10Br2N2O3
Molecular Weight438.08 g/mol
Exact Mass435.91
IUPAC Name6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline
SMILESBrc1ccc2ncnc(OCc3cc4c(cc3Br)OCO4)c2c1
InChIInChI=1S/C16H10Br2N2O3/c17-10-1-2-13-11(4-10)16(20-7-19-13)21-6-9-3-14-15(5-12(9)18)23-8-22-14/h1-5,7H,6,8H2
InChIKeySWADBXBZVGHONY-UHFFFAOYSA-N
XLogP4.46
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.08
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-Bromo-phenoxy)-6,7-dimethoxy-quinazoline
CID 44331231
4-(4-Bromo-2-fluorophenoxy)-6,7-dimethoxyquinazoline
CID 52947210
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-bromoquinazolin-4-yl)oxyacetamide
CID 2124628
6-Bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]quinazoline
CID 2400678
4-[(6-Bromo-1,3-benzodioxol-5-yl)methylsulfanyl]quinazoline
CID 8097390
4-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-6-bromoquinazoline
CID 24073551
6-Bromo-4-(3-bromophenoxy)quinazoline
CID 46879775
6-Bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline
CID 4790054
4-(4-Bromo-2-fluorophenoxy)-7-cyclopropylmethoxy-6-methoxyquinazoline
CID 22243914
4-(4-Bromo-2-fluorophenoxy)-7-(3-bromopropoxy)-6-methoxyquinazoline
CID 22649227
4-(4-Bromo-2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinazoline
CID 22649314
4-(4-Bromo-2-fluorophenoxy)-6-methoxy-7-[phenyl(phenylmethoxy)methoxy]quinazoline
CID 70003446

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline?
The IUPAC name of 6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline (CID 112769880) is 6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline.
What is the SMILES notation for 6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline?
The canonical SMILES for 6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline is Brc1ccc2ncnc(OCc3cc4c(cc3Br)OCO4)c2c1.
What is the InChIKey of 6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline?
The InChIKey is SWADBXBZVGHONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2O3/c17-10-1-2-13-11(4-10)16(20-7-19-13)21-6-9-3-14-15(5-12(9)18)23-8-22-14/h1-5,7H,6,8H2.
What are the key properties of 6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline?
6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline has a molecular weight of 438.08 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline is sourced from PubChem (CID 112769880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).