3-methoxy-4-methylcinnoline

C10H10N2O — CID 134914729

IUPAC3-methoxy-4-methylcinnoline
SMILESCOc1nnc2ccccc2c1C
InChIInChI=1S/C10H10N2O/c1-7-8-5-3-4-6-9(8)11-12-10(7)13-2/h3-6H,1-2H3
InChIKeyHBVBFDNAFXTKIT-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.95
Rot. Bonds1

About 3-methoxy-4-methylcinnoline

3-methoxy-4-methylcinnoline (PubChem CID 134914729) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-methoxy-4-methylcinnoline.

Molecular Properties

Compound Name3-methoxy-4-methylcinnoline
PubChem CID134914729
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-methoxy-4-methylcinnoline
SMILESCOc1nnc2ccccc2c1C
InChIInChI=1S/C10H10N2O/c1-7-8-5-3-4-6-9(8)11-12-10(7)13-2/h3-6H,1-2H3
InChIKeyHBVBFDNAFXTKIT-UHFFFAOYSA-N
XLogP1.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methylcinnoline?
The IUPAC name of 3-methoxy-4-methylcinnoline (CID 134914729) is 3-methoxy-4-methylcinnoline.
What is the SMILES notation for 3-methoxy-4-methylcinnoline?
The canonical SMILES for 3-methoxy-4-methylcinnoline is COc1nnc2ccccc2c1C.
What is the InChIKey of 3-methoxy-4-methylcinnoline?
The InChIKey is HBVBFDNAFXTKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-8-5-3-4-6-9(8)11-12-10(7)13-2/h3-6H,1-2H3.
What are the key properties of 3-methoxy-4-methylcinnoline?
3-methoxy-4-methylcinnoline has a molecular weight of 174.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methylcinnoline is sourced from PubChem (CID 134914729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).