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

C22H24N2O2 — CID 17236544

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

N-[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide (PubChem CID 17236544) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide
• PubChem CID: 17236544
• Molecular Formula: C22H24N2O2
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.18
• IUPAC Name: N-[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1ccc2c(c1)C1C=CCC1C(c1ccc(O)cc1)N2
• InChI: InChI=1S/C22H24N2O2/c1-13(2)22(26)23-15-8-11-20-19(12-15)17-4-3-5-18(17)21(24-20)14-6-9-16(25)10-7-14/h3-4,6-13,17-18,21,24-25H,5H2,1-2H3,(H,23,26)
• InChIKey: ROVCEFDJQWVNIB-UHFFFAOYSA-N
• XLogP: 4.81
• 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	4.81
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 N-[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide?

The IUPAC name of N-[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide (CID 17236544) is N-[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide.

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

The canonical SMILES for N-[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc2c(c1)C1C=CCC1C(c1ccc(O)cc1)N2.

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

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

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

N-[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide has a molecular weight of 348.45 g/mol, XLogP of 4.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide is sourced from PubChem (CID 17236544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).