7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride

C24H29ClN4O2 — CID 67142351

About 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride

7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride (PubChem CID 67142351) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride
• PubChem CID: 67142351
• Molecular Formula: C24H29ClN4O2
• Molecular Weight: 440.98 g/mol
• Exact Mass: 440.20
• IUPAC Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride
• SMILES: C=CCn1c(C)c(C)c2cc(C(=O)NCCO)nc(N3CCc4ccccc4C3)c21.Cl
• InChI: InChI=1S/C24H28N4O2.ClH/c1-4-11-28-17(3)16(2)20-14-21(24(30)25-10-13-29)26-23(22(20)28)27-12-9-18-7-5-6-8-19(18)15-27;/h4-8,14,29H,1,9-13,15H2,2-3H3,(H,25,30);1H
• InChIKey: VFEPXNMVABPZHQ-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.98
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride?

The IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride (CID 67142351) is 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride.

What is the SMILES notation for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride?

The canonical SMILES for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride is C=CCn1c(C)c(C)c2cc(C(=O)NCCO)nc(N3CCc4ccccc4C3)c21.Cl.

What is the InChIKey of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride?

The InChIKey is VFEPXNMVABPZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.ClH/c1-4-11-28-17(3)16(2)20-14-21(24(30)25-10-13-29)26-23(22(20)28)27-12-9-18-7-5-6-8-19(18)15-27;/h4-8,14,29H,1,9-13,15H2,2-3H3,(H,25,30);1H.

What are the key properties of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride?

7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride has a molecular weight of 440.98 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-hydroxyethyl)-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride is sourced from PubChem (CID 67142351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).