Skip to content

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

C18H22N2O2 — CID 112511820

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccn1)NC(C)(C)C2
InChIInChI=1S/C18H22N2O2/c1-18(2)11-12-9-15(21-3)16(22-4)10-13(12)17(20-18)14-7-5-6-8-19-14/h5-10,17,20H,11H2,1-4H3
InChIKeyWREHDUUQQKSXQC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.11
Rot. Bonds3

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

6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline (PubChem CID 112511820) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline
PubChem CID112511820
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccn1)NC(C)(C)C2
InChIInChI=1S/C18H22N2O2/c1-18(2)11-12-9-15(21-3)16(22-4)10-13(12)17(20-18)14-7-5-6-8-19-14/h5-10,17,20H,11H2,1-4H3
InChIKeyWREHDUUQQKSXQC-UHFFFAOYSA-N
XLogP3.11
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-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-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline (CID 112511820) is 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)C(c1ccccn1)NC(C)(C)C2.
What is the InChIKey of 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline?
The InChIKey is WREHDUUQQKSXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2)11-12-9-15(21-3)16(22-4)10-13(12)17(20-18)14-7-5-6-8-19-14/h5-10,17,20H,11H2,1-4H3.
What are the key properties of 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline has a molecular weight of 298.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3,3-dimethyl-1-pyridin-2-yl-2,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 112511820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.