N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C24H26ClN3O2 — CID 110511084

About N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 110511084) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• PubChem CID: 110511084
• Molecular Formula: C24H26ClN3O2
• Molecular Weight: 423.94 g/mol
• Exact Mass: 423.17
• IUPAC Name: N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• SMILES: CCCOc1ccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)cc1Cl
• InChI: InChI=1S/C24H26ClN3O2/c1-3-10-30-23-9-5-16(12-20(23)25)14-26-28-24(29)17-6-8-22-19(13-17)18-11-15(2)4-7-21(18)27-22/h5-6,8-9,12-15,27H,3-4,7,10-11H2,1-2H3,(H,28,29)/b26-14-
• InChIKey: CGDRLUDRQOJCOM-WGARJPEWSA-N
• XLogP: 5.50
• TPSA: 66.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.94
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The IUPAC name of N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 110511084) is N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

What is the SMILES notation for N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The canonical SMILES for N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CCCOc1ccc(/C=N\NC(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)cc1Cl.

What is the InChIKey of N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

The InChIKey is CGDRLUDRQOJCOM-WGARJPEWSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-3-10-30-23-9-5-16(12-20(23)25)14-26-28-24(29)17-6-8-22-19(13-17)18-11-15(2)4-7-21(18)27-22/h5-6,8-9,12-15,27H,3-4,7,10-11H2,1-2H3,(H,28,29)/b26-14-.

What are the key properties of N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?

N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 423.94 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 110511084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).