4-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C22H24N2O2 — CID 17236501

About 4-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

4-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17236501) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 4-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• PubChem CID: 17236501
• Molecular Formula: C22H24N2O2
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.18
• IUPAC Name: 4-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• SMILES: CC(C)NC(=O)c1cccc2c1NC(c1ccc(O)cc1)C1CC=CC21
• InChI: InChI=1S/C22H24N2O2/c1-13(2)23-22(26)19-8-4-7-18-16-5-3-6-17(16)20(24-21(18)19)14-9-11-15(25)12-10-14/h3-5,7-13,16-17,20,24-25H,6H2,1-2H3,(H,23,26)
• InChIKey: BWCZJFTUHMHTIS-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 61.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	3
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-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The IUPAC name of 4-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17236501) is 4-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

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

The canonical SMILES for 4-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is CC(C)NC(=O)c1cccc2c1NC(c1ccc(O)cc1)C1CC=CC21.

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

The InChIKey is BWCZJFTUHMHTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-13(2)23-22(26)19-8-4-7-18-16-5-3-6-17(16)20(24-21(18)19)14-9-11-15(25)12-10-14/h3-5,7-13,16-17,20,24-25H,6H2,1-2H3,(H,23,26).

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

4-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-hydroxyphenyl)-N-propan-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17236501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).