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

C30H26N2O — CID 17252640

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

3-methyl-N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide (PubChem CID 17252640) has the molecular formula C30H26N2O and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-methyl-N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide
• PubChem CID: 17252640
• Molecular Formula: C30H26N2O
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.20
• IUPAC Name: 3-methyl-N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide
• SMILES: Cc1cccc(C(=O)Nc2ccc3c(c2)C2C=CCC2C(c2ccc4ccccc4c2)N3)c1
• InChI: InChI=1S/C30H26N2O/c1-19-6-4-9-23(16-19)30(33)31-24-14-15-28-27(18-24)25-10-5-11-26(25)29(32-28)22-13-12-20-7-2-3-8-21(20)17-22/h2-10,12-18,25-26,29,32H,11H2,1H3,(H,31,33)
• InChIKey: DUNVSWPRNYOQIO-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

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 3-methyl-N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide?

The IUPAC name of 3-methyl-N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide (CID 17252640) is 3-methyl-N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide.

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

The canonical SMILES for 3-methyl-N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)C2C=CCC2C(c2ccc4ccccc4c2)N3)c1.

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

The InChIKey is DUNVSWPRNYOQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O/c1-19-6-4-9-23(16-19)30(33)31-24-14-15-28-27(18-24)25-10-5-11-26(25)29(32-28)22-13-12-20-7-2-3-8-21(20)17-22/h2-10,12-18,25-26,29,32H,11H2,1H3,(H,31,33).

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

3-methyl-N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide has a molecular weight of 430.55 g/mol, XLogP of 7.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-(4-naphthalen-2-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)benzamide is sourced from PubChem (CID 17252640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).