N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide

C23H26N2O3 — CID 17238506

About N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide

N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide (PubChem CID 17238506) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide.

Molecular Properties

• Compound Name: N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide
• PubChem CID: 17238506
• Molecular Formula: C23H26N2O3
• Molecular Weight: 378.47 g/mol
• Exact Mass: 378.19
• IUPAC Name: N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide
• SMILES: CCCC(=O)Nc1ccc2c(c1)C1C=CCC1C(c1cccc(OC)c1O)N2
• InChI: InChI=1S/C23H26N2O3/c1-3-6-21(26)24-14-11-12-19-18(13-14)15-7-4-8-16(15)22(25-19)17-9-5-10-20(28-2)23(17)27/h4-5,7,9-13,15-16,22,25,27H,3,6,8H2,1-2H3,(H,24,26)
• InChIKey: ICNANGRCOGHXAH-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 70.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.47
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide?

The IUPAC name of N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide (CID 17238506) is N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide.

What is the SMILES notation for N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide?

The canonical SMILES for N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)C1C=CCC1C(c1cccc(OC)c1O)N2.

What is the InChIKey of N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide?

The InChIKey is ICNANGRCOGHXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-6-21(26)24-14-11-12-19-18(13-14)15-7-4-8-16(15)22(25-19)17-9-5-10-20(28-2)23(17)27/h4-5,7,9-13,15-16,22,25,27H,3,6,8H2,1-2H3,(H,24,26).

What are the key properties of N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide?

N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide has a molecular weight of 378.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-hydroxy-3-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]butanamide is sourced from PubChem (CID 17238506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).