1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol

C21H29N3O3 — CID 130345842

About 1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol

1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol (PubChem CID 130345842) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol.

Molecular Properties

• Compound Name: 1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol
• PubChem CID: 130345842
• Molecular Formula: C21H29N3O3
• Molecular Weight: 371.48 g/mol
• Exact Mass: 371.22
• IUPAC Name: 1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol
• SMILES: CNc1c2c(nc3cc(OCCCN4CC(C)(O)C4)c(OC)cc13)CCC2
• InChI: InChI=1S/C21H29N3O3/c1-21(25)12-24(13-21)8-5-9-27-19-11-17-15(10-18(19)26-3)20(22-2)14-6-4-7-16(14)23-17/h10-11,25H,4-9,12-13H2,1-3H3,(H,22,23)
• InChIKey: KTUVRILATCTGQN-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 66.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.48
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol?

The IUPAC name of 1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol (CID 130345842) is 1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol.

What is the SMILES notation for 1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol?

The canonical SMILES for 1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol is CNc1c2c(nc3cc(OCCCN4CC(C)(O)C4)c(OC)cc13)CCC2.

What is the InChIKey of 1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol?

The InChIKey is KTUVRILATCTGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-21(25)12-24(13-21)8-5-9-27-19-11-17-15(10-18(19)26-3)20(22-2)14-6-4-7-16(14)23-17/h10-11,25H,4-9,12-13H2,1-3H3,(H,22,23).

What are the key properties of 1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol?

1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol has a molecular weight of 371.48 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 130345842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).