4-bromo-3-(4-methoxyphenyl)cinnoline

C15H11BrN2O — CID 10087034

IUPAC4-bromo-3-(4-methoxyphenyl)cinnoline
SMILESCOc1ccc(-c2nnc3ccccc3c2Br)cc1
InChIInChI=1S/C15H11BrN2O/c1-19-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)17-18-15/h2-9H,1H3
InChIKeyJQSXIZQTVVYPHL-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.07
Rot. Bonds2

About 4-bromo-3-(4-methoxyphenyl)cinnoline

4-bromo-3-(4-methoxyphenyl)cinnoline (PubChem CID 10087034) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-bromo-3-(4-methoxyphenyl)cinnoline.

Molecular Properties

Compound Name4-bromo-3-(4-methoxyphenyl)cinnoline
PubChem CID10087034
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name4-bromo-3-(4-methoxyphenyl)cinnoline
SMILESCOc1ccc(-c2nnc3ccccc3c2Br)cc1
InChIInChI=1S/C15H11BrN2O/c1-19-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)17-18-15/h2-9H,1H3
InChIKeyJQSXIZQTVVYPHL-UHFFFAOYSA-N
XLogP4.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-methoxyphenyl)cinnoline?
The IUPAC name of 4-bromo-3-(4-methoxyphenyl)cinnoline (CID 10087034) is 4-bromo-3-(4-methoxyphenyl)cinnoline.
What is the SMILES notation for 4-bromo-3-(4-methoxyphenyl)cinnoline?
The canonical SMILES for 4-bromo-3-(4-methoxyphenyl)cinnoline is COc1ccc(-c2nnc3ccccc3c2Br)cc1.
What is the InChIKey of 4-bromo-3-(4-methoxyphenyl)cinnoline?
The InChIKey is JQSXIZQTVVYPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-19-11-8-6-10(7-9-11)15-14(16)12-4-2-3-5-13(12)17-18-15/h2-9H,1H3.
What are the key properties of 4-bromo-3-(4-methoxyphenyl)cinnoline?
4-bromo-3-(4-methoxyphenyl)cinnoline has a molecular weight of 315.17 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-methoxyphenyl)cinnoline is sourced from PubChem (CID 10087034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).