4-(2-bromo-4-methoxyphenoxy)cinnoline

C15H11BrN2O2 — CID 104707553

IUPAC4-(2-bromo-4-methoxyphenoxy)cinnoline
SMILESCOc1ccc(Oc2cnnc3ccccc23)c(Br)c1
InChIInChI=1S/C15H11BrN2O2/c1-19-10-6-7-14(12(16)8-10)20-15-9-17-18-13-5-3-2-4-11(13)15/h2-9H,1H3
InChIKeyWNUZECNMNVOQCY-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.19
Rot. Bonds3

About 4-(2-bromo-4-methoxyphenoxy)cinnoline

4-(2-bromo-4-methoxyphenoxy)cinnoline (PubChem CID 104707553) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 4-(2-bromo-4-methoxyphenoxy)cinnoline.

Molecular Properties

Compound Name4-(2-bromo-4-methoxyphenoxy)cinnoline
PubChem CID104707553
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name4-(2-bromo-4-methoxyphenoxy)cinnoline
SMILESCOc1ccc(Oc2cnnc3ccccc23)c(Br)c1
InChIInChI=1S/C15H11BrN2O2/c1-19-10-6-7-14(12(16)8-10)20-15-9-17-18-13-5-3-2-4-11(13)15/h2-9H,1H3
InChIKeyWNUZECNMNVOQCY-UHFFFAOYSA-N
XLogP4.19
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromo-2-propan-2-ylphenoxy)cinnoline
CID 115402133
4-bromo-6-methoxycinnoline
CID 53415017
4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
CID 104708851
4,6-dimethoxycinnoline
CID 134989956
4-cinnolin-4-yloxyaniline
CID 63586759
2-(2-bromo-4-methoxyphenoxy)-3-methylquinoxaline
CID 104707668
4-cinnolin-4-yloxy-3-methylbenzoic acid
CID 107672871
2-(2-bromo-4-methoxyphenoxy)-1,3-benzoxazole
CID 104707726
2-chloro-4-cinnolin-4-yloxyaniline
CID 55213191
2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
CID 104708026
5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline
CID 145139401
5-(2-bromo-4-methoxyphenoxy)pyrazin-2-amine
CID 104708756

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methoxyphenoxy)cinnoline?
The IUPAC name of 4-(2-bromo-4-methoxyphenoxy)cinnoline (CID 104707553) is 4-(2-bromo-4-methoxyphenoxy)cinnoline.
What is the SMILES notation for 4-(2-bromo-4-methoxyphenoxy)cinnoline?
The canonical SMILES for 4-(2-bromo-4-methoxyphenoxy)cinnoline is COc1ccc(Oc2cnnc3ccccc23)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methoxyphenoxy)cinnoline?
The InChIKey is WNUZECNMNVOQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-19-10-6-7-14(12(16)8-10)20-15-9-17-18-13-5-3-2-4-11(13)15/h2-9H,1H3.
What are the key properties of 4-(2-bromo-4-methoxyphenoxy)cinnoline?
4-(2-bromo-4-methoxyphenoxy)cinnoline has a molecular weight of 331.17 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methoxyphenoxy)cinnoline is sourced from PubChem (CID 104707553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).