4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide

C23H23N3O3 — CID 121239141

IUPAC4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c2[nH]c(C(=O)NC3CCCc4c3[nH]c3ccccc43)cc12
InChIInChI=1S/C23H23N3O3/c1-28-19-10-11-20(29-2)22-15(19)12-18(25-22)23(27)26-17-9-5-7-14-13-6-3-4-8-16(13)24-21(14)17/h3-4,6,8,10-12,17,24-25H,5,7,9H2,1-2H3,(H,26,27)
InChIKeyRQLKIIDUSRKYRM-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.47
Rot. Bonds4

About 4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide

4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide (PubChem CID 121239141) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
PubChem CID121239141
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c2[nH]c(C(=O)NC3CCCc4c3[nH]c3ccccc43)cc12
InChIInChI=1S/C23H23N3O3/c1-28-19-10-11-20(29-2)22-15(19)12-18(25-22)23(27)26-17-9-5-7-14-13-6-3-4-8-16(13)24-21(14)17/h3-4,6,8,10-12,17,24-25H,5,7,9H2,1-2H3,(H,26,27)
InChIKeyRQLKIIDUSRKYRM-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 4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide (CID 121239141) is 4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide is COc1ccc(OC)c2[nH]c(C(=O)NC3CCCc4c3[nH]c3ccccc43)cc12.
What is the InChIKey of 4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide?
The InChIKey is RQLKIIDUSRKYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-19-10-11-20(29-2)22-15(19)12-18(25-22)23(27)26-17-9-5-7-14-13-6-3-4-8-16(13)24-21(14)17/h3-4,6,8,10-12,17,24-25H,5,7,9H2,1-2H3,(H,26,27).
What are the key properties of 4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide?
4,7-dimethoxy-N-(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 4,7-dimethoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 121239141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).