2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride

C14H16ClN3O4 — CID 138396721

IUPAC2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H15N3O4.ClH/c18-14(9-16-3-5-21-6-4-16)12-8-15-13-2-1-10(17(19)20)7-11(12)13;/h1-2,7-8,15H,3-6,9H2;1H
InChIKeySVTBJSZQVGQHRI-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.01
Rot. Bonds4

About 2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride

2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride (PubChem CID 138396721) has the molecular formula C14H16ClN3O4 and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride
PubChem CID138396721
Molecular FormulaC14H16ClN3O4
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC Name2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C14H15N3O4.ClH/c18-14(9-16-3-5-21-6-4-16)12-8-15-13-2-1-10(17(19)20)7-11(12)13;/h1-2,7-8,15H,3-6,9H2;1H
InChIKeySVTBJSZQVGQHRI-UHFFFAOYSA-N
XLogP2.01
TPSA88.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.01
H-Bond Donors ≤ 51
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

(5-nitro-1H-indol-3-yl)-(oxan-2-yl)methanone
CID 62215299
1,4-dioxan-2-yl-(5-nitro-1H-indol-3-yl)methanone
CID 62799566
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide
CID 47090989
[2-(1H-indol-3-yl)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16542107
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)butan-1-one
CID 62679540
methane;2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
CID 158561072
methyl 5-morpholin-4-yl-2-[(5-nitro-1H-indole-3-carbonyl)amino]benzoate
CID 56523119
2,2-dimethyl-1-(5-nitro-1H-indol-3-yl)propan-1-one
CID 43340493
cycloheptyl-(5-nitro-1H-indol-3-yl)methanone
CID 62587035
2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone
CID 43308931
(6-nitro-1H-indol-3-yl)-(oxan-4-yl)methanone
CID 62907561
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-morpholin-4-ylacetamide chloride
CID 53351842

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride?
The IUPAC name of 2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride (CID 138396721) is 2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride?
The canonical SMILES for 2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride is Cl.O=C(CN1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride?
The InChIKey is SVTBJSZQVGQHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4.ClH/c18-14(9-16-3-5-21-6-4-16)12-8-15-13-2-1-10(17(19)20)7-11(12)13;/h1-2,7-8,15H,3-6,9H2;1H.
What are the key properties of 2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride?
2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride has a molecular weight of 325.75 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-(5-nitro-1H-indol-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 138396721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).