6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline

C16H18N2O2 — CID 47100862

IUPAC6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(c1ccccn1)CC2
InChIInChI=1S/C16H18N2O2/c1-19-14-9-12-6-8-18(16-5-3-4-7-17-16)11-13(12)10-15(14)20-2/h3-5,7,9-10H,6,8,11H2,1-2H3
InChIKeyFNJURJZRSIOHEG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.66
Rot. Bonds3

About 6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 47100862) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID47100862
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(c1ccccn1)CC2
InChIInChI=1S/C16H18N2O2/c1-19-14-9-12-6-8-18(16-5-3-4-7-17-16)11-13(12)10-15(14)20-2/h3-5,7,9-10H,6,8,11H2,1-2H3
InChIKeyFNJURJZRSIOHEG-UHFFFAOYSA-N
XLogP2.66
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline (CID 47100862) is 6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(c1ccccn1)CC2.
What is the InChIKey of 6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FNJURJZRSIOHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-19-14-9-12-6-8-18(16-5-3-4-7-17-16)11-13(12)10-15(14)20-2/h3-5,7,9-10H,6,8,11H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 270.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-pyridin-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 47100862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).