4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide

C23H23N3O3 — CID 110208093

IUPAC4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C23H23N3O3/c1-28-13-9-10-18-15(11-13)14-5-3-7-19(22(14)25-18)26-23(27)20-12-16-17(24-20)6-4-8-21(16)29-2/h4,6,8-12,19,24-25H,3,5,7H2,1-2H3,(H,26,27)
InChIKeyBVQUTODOSRDXLI-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.47
Rot. Bonds4

About 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide

4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide (PubChem CID 110208093) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
PubChem CID110208093
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)c1cc2c(OC)cccc2[nH]1
InChIInChI=1S/C23H23N3O3/c1-28-13-9-10-18-15(11-13)14-5-3-7-19(22(14)25-18)26-23(27)20-12-16-17(24-20)6-4-8-21(16)29-2/h4,6,8-12,19,24-25H,3,5,7H2,1-2H3,(H,26,27)
InChIKeyBVQUTODOSRDXLI-UHFFFAOYSA-N
XLogP4.47
TPSA79.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide (CID 110208093) is 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide is COc1ccc2[nH]c3c(c2c1)CCCC3NC(=O)c1cc2c(OC)cccc2[nH]1.
What is the InChIKey of 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide?
The InChIKey is BVQUTODOSRDXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-13-9-10-18-15(11-13)14-5-3-7-19(22(14)25-18)26-23(27)20-12-16-17(24-20)6-4-8-21(16)29-2/h4,6,8-12,19,24-25H,3,5,7H2,1-2H3,(H,26,27).
What are the key properties of 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide?
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 110208093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).