4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline

C17H15BrN2O3 — CID 68954929

IUPAC4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline
SMILESCOc1ccc(COc2cc3c(Br)cnnc3cc2OC)cc1
InChIInChI=1S/C17H15BrN2O3/c1-21-12-5-3-11(4-6-12)10-23-17-7-13-14(18)9-19-20-15(13)8-16(17)22-2/h3-9H,10H2,1-2H3
InChIKeyUVKUNZPYHMDGSU-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.99
Rot. Bonds5

About 4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline

4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline (PubChem CID 68954929) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline.

Molecular Properties

Compound Name4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline
PubChem CID68954929
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline
SMILESCOc1ccc(COc2cc3c(Br)cnnc3cc2OC)cc1
InChIInChI=1S/C17H15BrN2O3/c1-21-12-5-3-11(4-6-12)10-23-17-7-13-14(18)9-19-20-15(13)8-16(17)22-2/h3-9H,10H2,1-2H3
InChIKeyUVKUNZPYHMDGSU-UHFFFAOYSA-N
XLogP3.99
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline?
The IUPAC name of 4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline (CID 68954929) is 4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline.
What is the SMILES notation for 4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline?
The canonical SMILES for 4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline is COc1ccc(COc2cc3c(Br)cnnc3cc2OC)cc1.
What is the InChIKey of 4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline?
The InChIKey is UVKUNZPYHMDGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-21-12-5-3-11(4-6-12)10-23-17-7-13-14(18)9-19-20-15(13)8-16(17)22-2/h3-9H,10H2,1-2H3.
What are the key properties of 4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline?
4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline has a molecular weight of 375.22 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-6-[(4-methoxyphenyl)methoxy]cinnoline is sourced from PubChem (CID 68954929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).