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

C30H33N3O2S — CID 17237073

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

N,N-diethyl-4-(9-ethylcarbazol-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide (PubChem CID 17237073) has the molecular formula C30H33N3O2S and a molecular weight of 499.68 g/mol. Its IUPAC name is N,N-diethyl-4-(9-ethylcarbazol-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide.

Molecular Properties

• Compound Name: N,N-diethyl-4-(9-ethylcarbazol-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
• PubChem CID: 17237073
• Molecular Formula: C30H33N3O2S
• Molecular Weight: 499.68 g/mol
• Exact Mass: 499.23
• IUPAC Name: N,N-diethyl-4-(9-ethylcarbazol-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc3c(c1)c1ccccc1n3CC)N2
• InChI: InChI=1S/C30H33N3O2S/c1-4-32(5-2)36(34,35)21-15-16-27-25(19-21)22-11-9-12-24(22)30(31-27)20-14-17-29-26(18-20)23-10-7-8-13-28(23)33(29)6-3/h7-11,13-19,22,24,30-31H,4-6,12H2,1-3H3
• InChIKey: YLCXQDOPEVVCJZ-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.68
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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,N-diethyl-4-(9-ethylcarbazol-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide?

The IUPAC name of N,N-diethyl-4-(9-ethylcarbazol-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide (CID 17237073) is N,N-diethyl-4-(9-ethylcarbazol-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide.

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

The canonical SMILES for N,N-diethyl-4-(9-ethylcarbazol-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc3c(c1)c1ccccc1n3CC)N2.

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

The InChIKey is YLCXQDOPEVVCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2S/c1-4-32(5-2)36(34,35)21-15-16-27-25(19-21)22-11-9-12-24(22)30(31-27)20-14-17-29-26(18-20)23-10-7-8-13-28(23)33(29)6-3/h7-11,13-19,22,24,30-31H,4-6,12H2,1-3H3.

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

N,N-diethyl-4-(9-ethylcarbazol-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide has a molecular weight of 499.68 g/mol, XLogP of 6.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-4-(9-ethylcarbazol-3-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide is sourced from PubChem (CID 17237073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).