3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide

C22H24N4O — CID 148501682

About 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide

3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide (PubChem CID 148501682) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide.

Molecular Properties

• Compound Name: 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide
• PubChem CID: 148501682
• Molecular Formula: C22H24N4O
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.20
• IUPAC Name: 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide
• SMILES: NC(=O)CCN(Cc1nccc2ccccc12)[C@H]1CCCc2cccnc21
• InChI: InChI=1S/C22H24N4O/c23-21(27)11-14-26(20-9-3-6-17-7-4-12-25-22(17)20)15-19-18-8-2-1-5-16(18)10-13-24-19/h1-2,4-5,7-8,10,12-13,20H,3,6,9,11,14-15H2,(H2,23,27)/t20-/m0/s1
• InChIKey: MKTRCHMHYJIOCS-FQEVSTJZSA-N
• XLogP: 3.38
• TPSA: 72.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide?

The IUPAC name of 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide (CID 148501682) is 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide.

What is the SMILES notation for 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide?

The canonical SMILES for 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide is NC(=O)CCN(Cc1nccc2ccccc12)[C@H]1CCCc2cccnc21.

What is the InChIKey of 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide?

The InChIKey is MKTRCHMHYJIOCS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O/c23-21(27)11-14-26(20-9-3-6-17-7-4-12-25-22(17)20)15-19-18-8-2-1-5-16(18)10-13-24-19/h1-2,4-5,7-8,10,12-13,20H,3,6,9,11,14-15H2,(H2,23,27)/t20-/m0/s1.

What are the key properties of 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide?

3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide has a molecular weight of 360.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[isoquinolin-1-ylmethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]propanamide is sourced from PubChem (CID 148501682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).