2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone

C20H19N3O4 — CID 71827785

IUPAC2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone
SMILESO=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H19N3O4/c24-20(22-11-12-27-19(13-22)15-5-2-1-3-6-15)14-21-10-9-16-17(21)7-4-8-18(16)23(25)26/h1-10,19H,11-14H2
InChIKeySTEZILOBEXGAAV-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.15
Rot. Bonds4

About 2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone

2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone (PubChem CID 71827785) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone
PubChem CID71827785
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone
SMILESO=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H19N3O4/c24-20(22-11-12-27-19(13-22)15-5-2-1-3-6-15)14-21-10-9-16-17(21)7-4-8-18(16)23(25)26/h1-10,19H,11-14H2
InChIKeySTEZILOBEXGAAV-UHFFFAOYSA-N
XLogP3.15
TPSA77.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-indol-1-yl-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 39315127
3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
CID 52900417
10-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acridin-9-one
CID 25348640
N-methyl-1-[2-(4-nitroindol-1-yl)acetyl]piperidine-4-carboxamide
CID 75374008
2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
CID 16894712
11-[2-(4-nitroindol-1-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 118985799
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
(5-chloro-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894667
(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide
CID 32840083
(5-methylsulfanyl-2-nitrophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 134040047
3-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 46579431
3-[2-oxo-2-[(2R)-2-pyridin-4-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 124990788

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone (CID 71827785) is 2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone is O=C(Cn1ccc2c([N+](=O)[O-])cccc21)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone?
The InChIKey is STEZILOBEXGAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-20(22-11-12-27-19(13-22)15-5-2-1-3-6-15)14-21-10-9-16-17(21)7-4-8-18(16)23(25)26/h1-10,19H,11-14H2.
What are the key properties of 2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone?
2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone has a molecular weight of 365.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitroindol-1-yl)-1-(2-phenylmorpholin-4-yl)ethanone is sourced from PubChem (CID 71827785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).