3-bromo-4-phenoxycinnoline

C14H9BrN2O — CID 12678052

IUPAC3-bromo-4-phenoxycinnoline
SMILESBrc1nnc2ccccc2c1Oc1ccccc1
InChIInChI=1S/C14H9BrN2O/c15-14-13(18-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-17-14/h1-9H
InChIKeyWQEPKKUAZMPHGR-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.18
Rot. Bonds2

About 3-bromo-4-phenoxycinnoline

3-bromo-4-phenoxycinnoline (PubChem CID 12678052) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-bromo-4-phenoxycinnoline.

Molecular Properties

Compound Name3-bromo-4-phenoxycinnoline
PubChem CID12678052
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name3-bromo-4-phenoxycinnoline
SMILESBrc1nnc2ccccc2c1Oc1ccccc1
InChIInChI=1S/C14H9BrN2O/c15-14-13(18-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-17-14/h1-9H
InChIKeyWQEPKKUAZMPHGR-UHFFFAOYSA-N
XLogP4.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cinnolinyl methyl ether
CID 292501
4-Prop-2-enoxycinnoline
CID 135060412
4-Phenoxycinnoline
CID 21991035
4-Chloro-3-(phenoxymethyl)cinnoline
CID 10084528
4-Bromo-3-(4-methoxyphenyl)cinnoline
CID 10087034
3-Ethynyl-4-phenoxycinnoline
CID 12678063
4-Phenoxy-3-(2-phenylethynyl)cinnoline
CID 12908777
3-Iodo-4-phenoxycinnoline
CID 12908785
4-phenoxy-3-[(E)-2-phenylethenyl]cinnoline
CID 12908802
8-Methyl-4-phenoxycinnoline
CID 86018673
(4-Phenoxycinnolin-6-yl)-phenyldiazene
CID 86018683
4-Bromo-7-methoxy-3-propylcinnoline
CID 102266186

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-phenoxycinnoline?
The IUPAC name of 3-bromo-4-phenoxycinnoline (CID 12678052) is 3-bromo-4-phenoxycinnoline.
What is the SMILES notation for 3-bromo-4-phenoxycinnoline?
The canonical SMILES for 3-bromo-4-phenoxycinnoline is Brc1nnc2ccccc2c1Oc1ccccc1.
What is the InChIKey of 3-bromo-4-phenoxycinnoline?
The InChIKey is WQEPKKUAZMPHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-14-13(18-10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-17-14/h1-9H.
What are the key properties of 3-bromo-4-phenoxycinnoline?
3-bromo-4-phenoxycinnoline has a molecular weight of 301.14 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-phenoxycinnoline is sourced from PubChem (CID 12678052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).