3-methoxycinnoline

C9H8N2O — CID 560720

IUPAC3-methoxycinnoline
SMILESCOc1cc2ccccc2nn1
InChIInChI=1S/C9H8N2O/c1-12-9-6-7-4-2-3-5-8(7)10-11-9/h2-6H,1H3
InChIKeyXZPZVFAARDDFLG-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.64
Rot. Bonds1

About 3-methoxycinnoline

3-methoxycinnoline (PubChem CID 560720) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-methoxycinnoline.

Molecular Properties

Compound Name3-methoxycinnoline
PubChem CID560720
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-methoxycinnoline
SMILESCOc1cc2ccccc2nn1
InChIInChI=1S/C9H8N2O/c1-12-9-6-7-4-2-3-5-8(7)10-11-9/h2-6H,1H3
InChIKeyXZPZVFAARDDFLG-UHFFFAOYSA-N
XLogP1.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycinnoline?
The IUPAC name of 3-methoxycinnoline (CID 560720) is 3-methoxycinnoline.
What is the SMILES notation for 3-methoxycinnoline?
The canonical SMILES for 3-methoxycinnoline is COc1cc2ccccc2nn1.
What is the InChIKey of 3-methoxycinnoline?
The InChIKey is XZPZVFAARDDFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-12-9-6-7-4-2-3-5-8(7)10-11-9/h2-6H,1H3.
What are the key properties of 3-methoxycinnoline?
3-methoxycinnoline has a molecular weight of 160.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycinnoline is sourced from PubChem (CID 560720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).