3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

C25H23N3O3 — CID 66604576

IUPAC3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(Cc2ccccc2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C25H23N3O3/c26-24(29)21-14-17(12-16-4-2-1-3-5-16)13-20-19-15-18(6-7-22(19)27-23(20)21)25(30)28-8-10-31-11-9-28/h1-7,13-15,27H,8-12H2,(H2,26,29)
InChIKeyUYZNAHKDOOCZJI-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.48
Rot. Bonds4

About 3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66604576) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66604576
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(Cc2ccccc2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C25H23N3O3/c26-24(29)21-14-17(12-16-4-2-1-3-5-16)13-20-19-15-18(6-7-22(19)27-23(20)21)25(30)28-8-10-31-11-9-28/h1-7,13-15,27H,8-12H2,(H2,26,29)
InChIKeyUYZNAHKDOOCZJI-UHFFFAOYSA-N
XLogP3.48
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (CID 66604576) is 3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is NC(=O)c1cc(Cc2ccccc2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12.
What is the InChIKey of 3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is UYZNAHKDOOCZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c26-24(29)21-14-17(12-16-4-2-1-3-5-16)13-20-19-15-18(6-7-22(19)27-23(20)21)25(30)28-8-10-31-11-9-28/h1-7,13-15,27H,8-12H2,(H2,26,29).
What are the key properties of 3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).