3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C24H23Cl2N3O3 — CID 66604664

IUPAC3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c3c([nH]c12)CCC(C(=O)N1CCOCC1)C3
InChIInChI=1S/C24H23Cl2N3O3/c25-19-3-1-13(12-20(19)26)15-10-17-16-9-14(24(31)29-5-7-32-8-6-29)2-4-21(16)28-22(17)18(11-15)23(27)30/h1,3,10-12,14,28H,2,4-9H2,(H2,27,30)
InChIKeyZWTBOIGTWGVRRR-UHFFFAOYSA-N
MW472.37 g/mol
LogP4.20
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 66604664) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID66604664
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC Name3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c3c([nH]c12)CCC(C(=O)N1CCOCC1)C3
InChIInChI=1S/C24H23Cl2N3O3/c25-19-3-1-13(12-20(19)26)15-10-17-16-9-14(24(31)29-5-7-32-8-6-29)2-4-21(16)28-22(17)18(11-15)23(27)30/h1,3,10-12,14,28H,2,4-9H2,(H2,27,30)
InChIKeyZWTBOIGTWGVRRR-UHFFFAOYSA-N
XLogP4.20
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 54.20
H-Bond Donors ≤ 52
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 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 66604664) is 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c3c([nH]c12)CCC(C(=O)N1CCOCC1)C3.
What is the InChIKey of 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is ZWTBOIGTWGVRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3/c25-19-3-1-13(12-20(19)26)15-10-17-16-9-14(24(31)29-5-7-32-8-6-29)2-4-21(16)28-22(17)18(11-15)23(27)30/h1,3,10-12,14,28H,2,4-9H2,(H2,27,30).
What are the key properties of 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 472.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 66604664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).