3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline

C14H10BrN3O2 — CID 107387714

IUPAC3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline
SMILESCOc1nc(Oc2cnc3ccccc3c2)ncc1Br
InChIInChI=1S/C14H10BrN3O2/c1-19-13-11(15)8-17-14(18-13)20-10-6-9-4-2-3-5-12(9)16-7-10/h2-8H,1H3
InChIKeySHMICHLSOUCNOM-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.59
Rot. Bonds3

About 3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline

3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline (PubChem CID 107387714) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline.

Molecular Properties

Compound Name3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline
PubChem CID107387714
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline
SMILESCOc1nc(Oc2cnc3ccccc3c2)ncc1Br
InChIInChI=1S/C14H10BrN3O2/c1-19-13-11(15)8-17-14(18-13)20-10-6-9-4-2-3-5-12(9)16-7-10/h2-8H,1H3
InChIKeySHMICHLSOUCNOM-UHFFFAOYSA-N
XLogP3.59
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(3-chlorophenoxy)-4-methoxypyrimidine
CID 106999196
5-bromo-2-(3,4-difluorophenoxy)-4-methoxypyrimidine
CID 106999263
(2-quinolin-3-yloxypyrimidin-5-yl)methanamine
CID 107387604
5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 106999154
5-bromo-2-(2,4-dibromophenoxy)-4-methoxypyrimidine
CID 106999331
[3-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-methoxyphenyl]methanamine
CID 106999557
methyl 4-(5-bromo-4-methoxypyrimidin-2-yl)oxybenzoate
CID 106999530
3-(2-methoxypyrimidin-5-yl)quinoline
CID 101347673
5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388419
3-(bromomethoxy)quinoline
CID 54277099
3-[4-(bromomethyl)phenoxy]quinoline
CID 107387563
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline?
The IUPAC name of 3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline (CID 107387714) is 3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline.
What is the SMILES notation for 3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline?
The canonical SMILES for 3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline is COc1nc(Oc2cnc3ccccc3c2)ncc1Br.
What is the InChIKey of 3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline?
The InChIKey is SHMICHLSOUCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-19-13-11(15)8-17-14(18-13)20-10-6-9-4-2-3-5-12(9)16-7-10/h2-8H,1H3.
What are the key properties of 3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline?
3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline has a molecular weight of 332.16 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline is sourced from PubChem (CID 107387714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).