3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine

C₁₅H₁₉N₃ — CID 117030152

About 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine

3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine (PubChem CID 117030152) has the molecular formula C₁₅H₁₉N₃ and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

• Compound Name: 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine
• PubChem CID: 117030152
• Molecular Formula: C₁₅H₁₉N₃
• Molecular Weight: 241.34 g/mol
• Exact Mass: 241.16
• IUPAC Name: 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine
• SMILES: CNCCCN1CCc2cc3ccccc3nc21
• InChI: InChI=1S/C15H19N3/c1-16-8-4-9-18-10-7-13-11-12-5-2-3-6-14(12)17-15(13)18/h2-3,5-6,11,16H,4,7-10H2,1H3
• InChIKey: FJUGKLSSPXVBBS-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 28.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.34
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine?

The IUPAC name of 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine (CID 117030152) is 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine.

What is the SMILES notation for 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine?

The canonical SMILES for 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine is CNCCCN1CCc2cc3ccccc3nc21.

What is the InChIKey of 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine?

The InChIKey is FJUGKLSSPXVBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-16-8-4-9-18-10-7-13-11-12-5-2-3-6-14(12)17-15(13)18/h2-3,5-6,11,16H,4,7-10H2,1H3.

What are the key properties of 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine?

3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 117030152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117030152 — identifiers, structure, computed properties (public domain)

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