5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline

C10H14N2O — CID 66847065

IUPAC5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline
SMILESCOc1cccc2c1CCNN2C
InChIInChI=1S/C10H14N2O/c1-12-9-4-3-5-10(13-2)8(9)6-7-11-12/h3-5,11H,6-7H2,1-2H3
InChIKeyHHGPXZJZMCDRCL-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.19
Rot. Bonds1

About 5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline

5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline (PubChem CID 66847065) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline.

Molecular Properties

Compound Name5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline
PubChem CID66847065
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline
SMILESCOc1cccc2c1CCNN2C
InChIInChI=1S/C10H14N2O/c1-12-9-4-3-5-10(13-2)8(9)6-7-11-12/h3-5,11H,6-7H2,1-2H3
InChIKeyHHGPXZJZMCDRCL-UHFFFAOYSA-N
XLogP1.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline?
The IUPAC name of 5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline (CID 66847065) is 5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline.
What is the SMILES notation for 5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline?
The canonical SMILES for 5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline is COc1cccc2c1CCNN2C.
What is the InChIKey of 5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline?
The InChIKey is HHGPXZJZMCDRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-9-4-3-5-10(13-2)8(9)6-7-11-12/h3-5,11H,6-7H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline?
5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline has a molecular weight of 178.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3,4-dihydro-2H-cinnoline is sourced from PubChem (CID 66847065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).