2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

C23H28ClN3O — CID 67141862

About 2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride

2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (PubChem CID 67141862) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.

Molecular Properties

• Compound Name: 2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
• PubChem CID: 67141862
• Molecular Formula: C23H28ClN3O
• Molecular Weight: 397.95 g/mol
• Exact Mass: 397.19
• IUPAC Name: 2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
• SMILES: C=CCn1c(C)c(C)c2ccnc(N3CCc4ccc(OC)cc4C3C)c21.Cl
• InChI: InChI=1S/C23H27N3O.ClH/c1-6-12-25-16(3)15(2)20-9-11-24-23(22(20)25)26-13-10-18-7-8-19(27-5)14-21(18)17(26)4;/h6-9,11,14,17H,1,10,12-13H2,2-5H3;1H
• InChIKey: RDYMHHQZNCDBPN-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 30.29 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.95
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?

The IUPAC name of 2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride (CID 67141862) is 2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride.

What is the SMILES notation for 2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?

The canonical SMILES for 2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is C=CCn1c(C)c(C)c2ccnc(N3CCc4ccc(OC)cc4C3C)c21.Cl.

What is the InChIKey of 2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?

The InChIKey is RDYMHHQZNCDBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O.ClH/c1-6-12-25-16(3)15(2)20-9-11-24-23(22(20)25)26-13-10-18-7-8-19(27-5)14-21(18)17(26)4;/h6-9,11,14,17H,1,10,12-13H2,2-5H3;1H.

What are the key properties of 2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride?

2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridin-7-yl)-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride is sourced from PubChem (CID 67141862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).