(8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium

C25H26N3Y- — CID 59176512

About (8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium

(8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium (PubChem CID 59176512) has the molecular formula C25H26N3Y- and a molecular weight of 457.41 g/mol. Its IUPAC name is (8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium.

Molecular Properties

• Compound Name: (8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium
• PubChem CID: 59176512
• Molecular Formula: C25H26N3Y-
• Molecular Weight: 457.41 g/mol
• Exact Mass: 457.12
• IUPAC Name: (8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium
• SMILES: [CH2-]n1c2ccccc2c2cc(CN(CC)[C@H]3CCCc4cccnc43)ccc21.[Y]
• InChI: InChI=1S/C25H26N3.Y/c1-3-28(24-12-6-8-19-9-7-15-26-25(19)24)17-18-13-14-23-21(16-18)20-10-4-5-11-22(20)27(23)2;/h4-5,7,9-11,13-16,24H,2-3,6,8,12,17H2,1H3;/q-1;/t24-;/m0./s1
• InChIKey: QIIOLHCTRZMWBL-JIDHJSLPSA-N
• XLogP: 5.73
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.41
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium?

The IUPAC name of (8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium (CID 59176512) is (8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium.

What is the SMILES notation for (8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium?

The canonical SMILES for (8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium is [CH2-]n1c2ccccc2c2cc(CN(CC)[C@H]3CCCc4cccnc43)ccc21.[Y].

What is the InChIKey of (8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium?

The InChIKey is QIIOLHCTRZMWBL-JIDHJSLPSA-N. The full InChI is InChI=1S/C25H26N3.Y/c1-3-28(24-12-6-8-19-9-7-15-26-25(19)24)17-18-13-14-23-21(16-18)20-10-4-5-11-22(20)27(23)2;/h4-5,7,9-11,13-16,24H,2-3,6,8,12,17H2,1H3;/q-1;/t24-;/m0./s1.

What are the key properties of (8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium?

(8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium has a molecular weight of 457.41 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-N-ethyl-N-[(9-methanidylcarbazol-3-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine;yttrium is sourced from PubChem (CID 59176512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).