4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

C24H29N3O — CID 17238970

About 4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (PubChem CID 17238970) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• PubChem CID: 17238970
• Molecular Formula: C24H29N3O
• Molecular Weight: 375.52 g/mol
• Exact Mass: 375.23
• IUPAC Name: 4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide
• SMILES: CCN(CC)c1ccc(C2Nc3c(C(=O)NC)cccc3C3C=CCC32)cc1
• InChI: InChI=1S/C24H29N3O/c1-4-27(5-2)17-14-12-16(13-15-17)22-19-9-6-8-18(19)20-10-7-11-21(23(20)26-22)24(28)25-3/h6-8,10-15,18-19,22,26H,4-5,9H2,1-3H3,(H,25,28)
• InChIKey: LDKXLPUXABHFMA-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.52
LogP ≤ 5	4.72
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 4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The IUPAC name of 4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide (CID 17238970) is 4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide.

What is the SMILES notation for 4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The canonical SMILES for 4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is CCN(CC)c1ccc(C2Nc3c(C(=O)NC)cccc3C3C=CCC32)cc1.

What is the InChIKey of 4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

The InChIKey is LDKXLPUXABHFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-4-27(5-2)17-14-12-16(13-15-17)22-19-9-6-8-18(19)20-10-7-11-21(23(20)26-22)24(28)25-3/h6-8,10-15,18-19,22,26H,4-5,9H2,1-3H3,(H,25,28).

What are the key properties of 4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide?

4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(diethylamino)phenyl]-N-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide is sourced from PubChem (CID 17238970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).