N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine

C32H41N5O — CID 71140991

About N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine

N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 71140991) has the molecular formula C32H41N5O and a molecular weight of 511.71 g/mol. Its IUPAC name is N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 71140991
• Molecular Formula: C32H41N5O
• Molecular Weight: 511.71 g/mol
• Exact Mass: 511.33
• IUPAC Name: N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CCCCCN(Cc1cc2c3ccccc3n(CCN3CCOCC3)c2cn1)C1CCCc2cccnc21
• InChI: InChI=1S/C32H41N5O/c1-2-3-6-15-36(30-13-7-9-25-10-8-14-33-32(25)30)24-26-22-28-27-11-4-5-12-29(27)37(31(28)23-34-26)17-16-35-18-20-38-21-19-35/h4-5,8,10-12,14,22-23,30H,2-3,6-7,9,13,15-21,24H2,1H3
• InChIKey: KHNOCACWHNNGBG-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 46.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.71
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
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 N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 71140991) is N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine is CCCCCN(Cc1cc2c3ccccc3n(CCN3CCOCC3)c2cn1)C1CCCc2cccnc21.

What is the InChIKey of N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is KHNOCACWHNNGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O/c1-2-3-6-15-36(30-13-7-9-25-10-8-14-33-32(25)30)24-26-22-28-27-11-4-5-12-29(27)37(31(28)23-34-26)17-16-35-18-20-38-21-19-35/h4-5,8,10-12,14,22-23,30H,2-3,6-7,9,13,15-21,24H2,1H3.

What are the key properties of N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine?

N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 511.71 g/mol, XLogP of 5.99, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 71140991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).