4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline

C22H26N2 — CID 17237218

About 4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline

4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline (PubChem CID 17237218) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline
• PubChem CID: 17237218
• Molecular Formula: C22H26N2
• Molecular Weight: 318.46 g/mol
• Exact Mass: 318.21
• IUPAC Name: 4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline
• SMILES: Cc1cc(C)c2c(c1)NC(c1ccc(N(C)C)cc1)C1CC=CC21
• InChI: InChI=1S/C22H26N2/c1-14-12-15(2)21-18-6-5-7-19(18)22(23-20(21)13-14)16-8-10-17(11-9-16)24(3)4/h5-6,8-13,18-19,22-23H,7H2,1-4H3
• InChIKey: XGFYGJNOSVIPAY-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	318.46
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline?

The IUPAC name of 4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline (CID 17237218) is 4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline.

What is the SMILES notation for 4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline?

The canonical SMILES for 4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline is Cc1cc(C)c2c(c1)NC(c1ccc(N(C)C)cc1)C1CC=CC21.

What is the InChIKey of 4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline?

The InChIKey is XGFYGJNOSVIPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-14-12-15(2)21-18-6-5-7-19(18)22(23-20(21)13-14)16-8-10-17(11-9-16)24(3)4/h5-6,8-13,18-19,22-23H,7H2,1-4H3.

What are the key properties of 4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline?

4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline has a molecular weight of 318.46 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-N,N-dimethylaniline is sourced from PubChem (CID 17237218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).