4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C22H25NO2 — CID 17244036

About 4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 17244036) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

• Compound Name: 4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• PubChem CID: 17244036
• Molecular Formula: C22H25NO2
• Molecular Weight: 335.45 g/mol
• Exact Mass: 335.19
• IUPAC Name: 4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
• SMILES: COc1cccc(C2Nc3c(OC(C)C)cccc3C3C=CCC32)c1
• InChI: InChI=1S/C22H25NO2/c1-14(2)25-20-12-6-11-19-17-9-5-10-18(17)21(23-22(19)20)15-7-4-8-16(13-15)24-3/h4-9,11-14,17-18,21,23H,10H2,1-3H3
• InChIKey: QUUFJELSEKBDDU-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	335.45
LogP ≤ 5	5.31
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 4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The IUPAC name of 4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 17244036) is 4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

What is the SMILES notation for 4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The canonical SMILES for 4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is COc1cccc(C2Nc3c(OC(C)C)cccc3C3C=CCC32)c1.

What is the InChIKey of 4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

The InChIKey is QUUFJELSEKBDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-14(2)25-20-12-6-11-19-17-9-5-10-18(17)21(23-22(19)20)15-7-4-8-16(13-15)24-3/h4-9,11-14,17-18,21,23H,10H2,1-3H3.

What are the key properties of 4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?

4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 335.45 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-methoxyphenyl)-6-propan-2-yloxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 17244036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).