(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C28H32N4 — CID 59176457

About (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 59176457) has the molecular formula C28H32N4 and a molecular weight of 424.59 g/mol. Its IUPAC name is (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 59176457
• Molecular Formula: C28H32N4
• Molecular Weight: 424.59 g/mol
• Exact Mass: 424.26
• IUPAC Name: (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: c1ccc2c(c1)Cc1c-2ccnc1CN(CC1CCCNC1)[C@H]1CCCc2cccnc21
• InChI: InChI=1S/C28H32N4/c1-2-10-23-22(7-1)16-25-24(23)12-15-30-26(25)19-32(18-20-6-4-13-29-17-20)27-11-3-8-21-9-5-14-31-28(21)27/h1-2,5,7,9-10,12,14-15,20,27,29H,3-4,6,8,11,13,16-19H2/t20?,27-/m0/s1
• InChIKey: GQEBKMNZDOTNIF-OHMHCFLMSA-N
• XLogP: 4.93
• TPSA: 41.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.59
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 59176457) is (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is c1ccc2c(c1)Cc1c-2ccnc1CN(CC1CCCNC1)[C@H]1CCCc2cccnc21.

What is the InChIKey of (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is GQEBKMNZDOTNIF-OHMHCFLMSA-N. The full InChI is InChI=1S/C28H32N4/c1-2-10-23-22(7-1)16-25-24(23)12-15-30-26(25)19-32(18-20-6-4-13-29-17-20)27-11-3-8-21-9-5-14-31-28(21)27/h1-2,5,7,9-10,12,14-15,20,27,29H,3-4,6,8,11,13,16-19H2/t20?,27-/m0/s1.

What are the key properties of (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?

(8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 424.59 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-N-(9H-indeno[2,1-c]pyridin-1-ylmethyl)-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 59176457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).