morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone

C17H15N3O4S — CID 171100452

IUPACmorpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone
SMILESO=C(c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1S2)N1CCOCC1
InChIInChI=1S/C17H15N3O4S/c21-17(19-5-7-24-8-6-19)11-9-13(20(22)23)16-15(10-11)25-14-4-2-1-3-12(14)18-16/h1-4,9-10,18H,5-8H2
InChIKeySEEUQJVUYZJWMR-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.28
Rot. Bonds2

About morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone

morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone (PubChem CID 171100452) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone
PubChem CID171100452
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Namemorpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone
SMILESO=C(c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1S2)N1CCOCC1
InChIInChI=1S/C17H15N3O4S/c21-17(19-5-7-24-8-6-19)11-9-13(20(22)23)16-15(10-11)25-14-4-2-1-3-12(14)18-16/h1-4,9-10,18H,5-8H2
InChIKeySEEUQJVUYZJWMR-UHFFFAOYSA-N
XLogP3.28
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3,4-dichloro-5-nitrophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62059401
(3-chloro-4-nitrophenyl)-(1,4-oxazepan-4-yl)methanone
CID 82780556
4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 4933099
4-[4-(morpholine-4-carbonyl)-2,6-dinitroanilino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 25039208
4-chloro-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 55797364
3-nitro-10H-phenothiazine-1-carbonitrile
CID 95564360
[4-(2-methyl-2-phenylmorpholin-4-yl)-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133379436
2-benzylidene-6-(morpholine-4-carbonyl)-4H-1,4-benzothiazin-3-one
CID 4521443
(3-azido-4-methyl-5-nitrophenyl)-morpholin-4-ylmethanone
CID 169325446
[4-(3,5-dimethylpiperidin-1-yl)-3-nitrophenyl]-morpholin-4-ylmethanone
CID 78777281
[4-(2-chloro-6-nitrophenoxy)phenyl]-morpholin-4-ylmethanone
CID 1280540
[4-[(1-ethylcyclopropyl)methylamino]-3-nitrophenyl]-morpholin-4-ylmethanone
CID 133338332

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone?
The IUPAC name of morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone (CID 171100452) is morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone?
The canonical SMILES for morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone is O=C(c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1S2)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone?
The InChIKey is SEEUQJVUYZJWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c21-17(19-5-7-24-8-6-19)11-9-13(20(22)23)16-15(10-11)25-14-4-2-1-3-12(14)18-16/h1-4,9-10,18H,5-8H2.
What are the key properties of morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone?
morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone has a molecular weight of 357.39 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(1-nitro-10H-phenothiazin-3-yl)methanone is sourced from PubChem (CID 171100452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).