N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine

C23H28N2O — CID 17243923

About N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine

N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine (PubChem CID 17243923) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine.

Molecular Properties

• Compound Name: N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine
• PubChem CID: 17243923
• Molecular Formula: C23H28N2O
• Molecular Weight: 348.49 g/mol
• Exact Mass: 348.22
• IUPAC Name: N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine
• SMILES: CCN(CC)c1ccc2c(c1)C1C=CCC1C(c1cccc(OC)c1)N2
• InChI: InChI=1S/C23H28N2O/c1-4-25(5-2)17-12-13-22-21(15-17)19-10-7-11-20(19)23(24-22)16-8-6-9-18(14-16)26-3/h6-10,12-15,19-20,23-24H,4-5,11H2,1-3H3
• InChIKey: HIASNAZWISWTEP-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 24.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	348.49
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'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 N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine?

The IUPAC name of N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine (CID 17243923) is N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine.

What is the SMILES notation for N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine?

The canonical SMILES for N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine is CCN(CC)c1ccc2c(c1)C1C=CCC1C(c1cccc(OC)c1)N2.

What is the InChIKey of N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine?

The InChIKey is HIASNAZWISWTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-4-25(5-2)17-12-13-22-21(15-17)19-10-7-11-20(19)23(24-22)16-8-6-9-18(14-16)26-3/h6-10,12-15,19-20,23-24H,4-5,11H2,1-3H3.

What are the key properties of N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine?

N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine has a molecular weight of 348.49 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-4-(3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-amine is sourced from PubChem (CID 17243923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).