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

C24H21N3O3 — CID 66604394

IUPAC6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C24H21N3O3/c25-23(28)20-14-17(15-4-2-1-3-5-15)13-19-18-12-16(6-7-21(18)26-22(19)20)24(29)27-8-10-30-11-9-27/h1-7,12-14,26H,8-11H2,(H2,25,28)
InChIKeyVBMFXGFCLWKXEL-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.56
Rot. Bonds3

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

6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide (PubChem CID 66604394) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide
PubChem CID66604394
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C24H21N3O3/c25-23(28)20-14-17(15-4-2-1-3-5-15)13-19-18-12-16(6-7-21(18)26-22(19)20)24(29)27-8-10-30-11-9-27/h1-7,12-14,26H,8-11H2,(H2,25,28)
InChIKeyVBMFXGFCLWKXEL-UHFFFAOYSA-N
XLogP3.56
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide?
The IUPAC name of 6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide (CID 66604394) is 6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide.
What is the SMILES notation for 6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide?
The canonical SMILES for 6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12.
What is the InChIKey of 6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide?
The InChIKey is VBMFXGFCLWKXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c25-23(28)20-14-17(15-4-2-1-3-5-15)13-19-18-12-16(6-7-21(18)26-22(19)20)24(29)27-8-10-30-11-9-27/h1-7,12-14,26H,8-11H2,(H2,25,28).
What are the key properties of 6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide?
6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).