N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

C23H26N2O2 — CID 17240718

About N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (PubChem CID 17240718) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• PubChem CID: 17240718
• Molecular Formula: C23H26N2O2
• Molecular Weight: 362.47 g/mol
• Exact Mass: 362.20
• IUPAC Name: N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• SMILES: CCC(C)NC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccccc1O)N2
• InChI: InChI=1S/C23H26N2O2/c1-3-14(2)24-23(27)15-11-12-20-19(13-15)16-8-6-9-17(16)22(25-20)18-7-4-5-10-21(18)26/h4-8,10-14,16-17,22,25-26H,3,9H2,1-2H3,(H,24,27)
• InChIKey: YWWVHXKVJWTMEL-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 61.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.47
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', '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 N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The IUPAC name of N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (CID 17240718) is N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

What is the SMILES notation for N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The canonical SMILES for N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is CCC(C)NC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccccc1O)N2.

What is the InChIKey of N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The InChIKey is YWWVHXKVJWTMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-3-14(2)24-23(27)15-11-12-20-19(13-15)16-8-6-9-17(16)22(25-20)18-7-4-5-10-21(18)26/h4-8,10-14,16-17,22,25-26H,3,9H2,1-2H3,(H,24,27).

What are the key properties of N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-4-(2-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is sourced from PubChem (CID 17240718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).