N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide

C28H30N2O2 — CID 17242451

About N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide

N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide (PubChem CID 17242451) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide
• PubChem CID: 17242451
• Molecular Formula: C28H30N2O2
• Molecular Weight: 426.56 g/mol
• Exact Mass: 426.23
• IUPAC Name: N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide
• SMILES: COc1ccc2ccccc2c1C1Nc2ccc(NC(=O)CC(C)C)cc2C2C=CCC21
• InChI: InChI=1S/C28H30N2O2/c1-17(2)15-26(31)29-19-12-13-24-23(16-19)21-9-6-10-22(21)28(30-24)27-20-8-5-4-7-18(20)11-14-25(27)32-3/h4-9,11-14,16-17,21-22,28,30H,10,15H2,1-3H3,(H,29,31)
• InChIKey: YGMPZDJIUPVGOG-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 50.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	2
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-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide?

The IUPAC name of N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide (CID 17242451) is N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide.

What is the SMILES notation for N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide?

The canonical SMILES for N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide is COc1ccc2ccccc2c1C1Nc2ccc(NC(=O)CC(C)C)cc2C2C=CCC21.

What is the InChIKey of N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide?

The InChIKey is YGMPZDJIUPVGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-17(2)15-26(31)29-19-12-13-24-23(16-19)21-9-6-10-22(21)28(30-24)27-20-8-5-4-7-18(20)11-14-25(27)32-3/h4-9,11-14,16-17,21-22,28,30H,10,15H2,1-3H3,(H,29,31).

What are the key properties of N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide?

N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide has a molecular weight of 426.56 g/mol, XLogP of 6.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-methoxynaphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-3-methylbutanamide is sourced from PubChem (CID 17242451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).