3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid

C28H34N2O2 — CID 157320941

About 3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid

3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid (PubChem CID 157320941) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid.

Molecular Properties

• Compound Name: 3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid
• PubChem CID: 157320941
• Molecular Formula: C28H34N2O2
• Molecular Weight: 430.59 g/mol
• Exact Mass: 430.26
• IUPAC Name: 3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid
• SMILES: Cc1ccc2cc(C(CCCCCCc3ccc4c(n3)CCCC4)CC(=O)O)cnc2c1
• InChI: InChI=1S/C28H34N2O2/c1-20-12-13-23-17-24(19-29-27(23)16-20)22(18-28(31)32)9-4-2-3-5-10-25-15-14-21-8-6-7-11-26(21)30-25/h12-17,19,22H,2-11,18H2,1H3,(H,31,32)
• InChIKey: GEFJIXGSGRRRCR-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 63.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.59
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid?

The IUPAC name of 3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid (CID 157320941) is 3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid.

What is the SMILES notation for 3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid?

The canonical SMILES for 3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid is Cc1ccc2cc(C(CCCCCCc3ccc4c(n3)CCCC4)CC(=O)O)cnc2c1.

What is the InChIKey of 3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid?

The InChIKey is GEFJIXGSGRRRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-20-12-13-23-17-24(19-29-27(23)16-20)22(18-28(31)32)9-4-2-3-5-10-25-15-14-21-8-6-7-11-26(21)30-25/h12-17,19,22H,2-11,18H2,1H3,(H,31,32).

What are the key properties of 3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid?

3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid has a molecular weight of 430.59 g/mol, XLogP of 6.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-methylquinolin-3-yl)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid is sourced from PubChem (CID 157320941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).