4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

C34H31N3O — CID 17237179

About 4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide

4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (PubChem CID 17237179) has the molecular formula C34H31N3O and a molecular weight of 497.64 g/mol. Its IUPAC name is 4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• PubChem CID: 17237179
• Molecular Formula: C34H31N3O
• Molecular Weight: 497.64 g/mol
• Exact Mass: 497.25
• IUPAC Name: 4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
• SMILES: CCn1c2ccccc2c2cc(C3Nc4ccc(C(=O)N(C)c5ccccc5)cc4C4C=CCC43)ccc21
• InChI: InChI=1S/C34H31N3O/c1-3-37-31-15-8-7-12-26(31)29-20-22(17-19-32(29)37)33-27-14-9-13-25(27)28-21-23(16-18-30(28)35-33)34(38)36(2)24-10-5-4-6-11-24/h4-13,15-21,25,27,33,35H,3,14H2,1-2H3
• InChIKey: HNVACHWEDDRJCT-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.64
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	1
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 4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The IUPAC name of 4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide (CID 17237179) is 4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide.

What is the SMILES notation for 4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The canonical SMILES for 4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is CCn1c2ccccc2c2cc(C3Nc4ccc(C(=O)N(C)c5ccccc5)cc4C4C=CCC43)ccc21.

What is the InChIKey of 4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

The InChIKey is HNVACHWEDDRJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O/c1-3-37-31-15-8-7-12-26(31)29-20-22(17-19-32(29)37)33-27-14-9-13-25(27)28-21-23(16-18-30(28)35-33)34(38)36(2)24-10-5-4-6-11-24/h4-13,15-21,25,27,33,35H,3,14H2,1-2H3.

What are the key properties of 4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide?

4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 7.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(9-ethylcarbazol-3-yl)-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide is sourced from PubChem (CID 17237179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).