(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C33H35N5 — CID 59176444

About (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 59176444) has the molecular formula C33H35N5 and a molecular weight of 501.68 g/mol. Its IUPAC name is (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 59176444
• Molecular Formula: C33H35N5
• Molecular Weight: 501.68 g/mol
• Exact Mass: 501.29
• IUPAC Name: (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: c1ccc2c(c1)Cc1c-2ccnc1CN(Cc1ccccc1N1CCNCC1)[C@H]1CCCc2cccnc21
• InChI: InChI=1S/C33H35N5/c1-3-11-27-25(7-1)21-29-28(27)14-16-35-30(29)23-38(32-13-5-9-24-10-6-15-36-33(24)32)22-26-8-2-4-12-31(26)37-19-17-34-18-20-37/h1-4,6-8,10-12,14-16,32,34H,5,9,13,17-23H2/t32-/m0/s1
• InChIKey: DXONVXXKUBJWSO-YTTGMZPUSA-N
• XLogP: 5.54
• TPSA: 44.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.68
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 59176444) is (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine is c1ccc2c(c1)Cc1c-2ccnc1CN(Cc1ccccc1N1CCNCC1)[C@H]1CCCc2cccnc21.

What is the InChIKey of (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is DXONVXXKUBJWSO-YTTGMZPUSA-N. The full InChI is InChI=1S/C33H35N5/c1-3-11-27-25(7-1)21-29-28(27)14-16-35-30(29)23-38(32-13-5-9-24-10-6-15-36-33(24)32)22-26-8-2-4-12-31(26)37-19-17-34-18-20-37/h1-4,6-8,10-12,14-16,32,34H,5,9,13,17-23H2/t32-/m0/s1.

What are the key properties of (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 501.68 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-[(2-piperazin-1-ylphenyl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 59176444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).