6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide

C20H19N3O4 — CID 90376083

IUPAC6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccc3[nH]c4cccc(C(=O)N=O)c4c3c2)C[C@H](C)O1
InChIInChI=1S/C20H19N3O4/c1-11-9-23(10-12(2)27-11)20(25)13-6-7-16-15(8-13)18-14(19(24)22-26)4-3-5-17(18)21-16/h3-8,11-12,21H,9-10H2,1-2H3/t11-,12+
InChIKeyNNALDMVQNBJYFR-TXEJJXNPSA-N
MW365.39 g/mol
LogP3.48
Rot. Bonds2

About 6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide

6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide (PubChem CID 90376083) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide.

Molecular Properties

Compound Name6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide
PubChem CID90376083
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide
SMILESC[C@@H]1CN(C(=O)c2ccc3[nH]c4cccc(C(=O)N=O)c4c3c2)C[C@H](C)O1
InChIInChI=1S/C20H19N3O4/c1-11-9-23(10-12(2)27-11)20(25)13-6-7-16-15(8-13)18-14(19(24)22-26)4-3-5-17(18)21-16/h3-8,11-12,21H,9-10H2,1-2H3/t11-,12+
InChIKeyNNALDMVQNBJYFR-TXEJJXNPSA-N
XLogP3.48
TPSA91.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-3-yl]methanone
CID 90375907
6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
CID 23474515
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-3-yl]methanone
CID 90376112
[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone
CID 139458547
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide
CID 104959807
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
[3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 122556465
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 95741069
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide?
The IUPAC name of 6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide (CID 90376083) is 6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide.
What is the SMILES notation for 6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide?
The canonical SMILES for 6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide is C[C@@H]1CN(C(=O)c2ccc3[nH]c4cccc(C(=O)N=O)c4c3c2)C[C@H](C)O1.
What is the InChIKey of 6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide?
The InChIKey is NNALDMVQNBJYFR-TXEJJXNPSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-11-9-23(10-12(2)27-11)20(25)13-6-7-16-15(8-13)18-14(19(24)22-26)4-3-5-17(18)21-16/h3-8,11-12,21H,9-10H2,1-2H3/t11-,12+.
What are the key properties of 6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide?
6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide is sourced from PubChem (CID 90376083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).