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

C24H29N3O — CID 17237330

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

N-[4-[4-(dimethylamino)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide (PubChem CID 17237330) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[4-[4-(dimethylamino)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-[4-(dimethylamino)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide
• PubChem CID: 17237330
• Molecular Formula: C24H29N3O
• Molecular Weight: 375.52 g/mol
• Exact Mass: 375.23
• IUPAC Name: N-[4-[4-(dimethylamino)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1ccc2c(c1)C1C=CCC1C(c1ccc(N(C)C)cc1)N2
• InChI: InChI=1S/C24H29N3O/c1-15(2)24(28)25-17-10-13-22-21(14-17)19-6-5-7-20(19)23(26-22)16-8-11-18(12-9-16)27(3)4/h5-6,8-15,19-20,23,26H,7H2,1-4H3,(H,25,28)
• InChIKey: JHUBNVRZHLOZLQ-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.52
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', '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-[4-(dimethylamino)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide?

The IUPAC name of N-[4-[4-(dimethylamino)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide (CID 17237330) is N-[4-[4-(dimethylamino)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide.

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

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

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

The InChIKey is JHUBNVRZHLOZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-15(2)24(28)25-17-10-13-22-21(14-17)19-6-5-7-20(19)23(26-22)16-8-11-18(12-9-16)27(3)4/h5-6,8-15,19-20,23,26H,7H2,1-4H3,(H,25,28).

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

N-[4-[4-(dimethylamino)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide has a molecular weight of 375.52 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(dimethylamino)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-2-methylpropanamide is sourced from PubChem (CID 17237330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).