2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone

C16H20N4O2 — CID 137258836

IUPAC2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone
SMILESC/C(=N\N)c1[nH]c2ccccc2c1CC(=O)N1CCOCC1
InChIInChI=1S/C16H20N4O2/c1-11(19-17)16-13(12-4-2-3-5-14(12)18-16)10-15(21)20-6-8-22-9-7-20/h2-5,18H,6-10,17H2,1H3/b19-11+
InChIKeyJPKCFODZPNZYIQ-YBFXNURJSA-N
MW300.36 g/mol
LogP1.25
Rot. Bonds3

About 2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone

2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone (PubChem CID 137258836) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone
PubChem CID137258836
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone
SMILESC/C(=N\N)c1[nH]c2ccccc2c1CC(=O)N1CCOCC1
InChIInChI=1S/C16H20N4O2/c1-11(19-17)16-13(12-4-2-3-5-14(12)18-16)10-15(21)20-6-8-22-9-7-20/h2-5,18H,6-10,17H2,1H3/b19-11+
InChIKeyJPKCFODZPNZYIQ-YBFXNURJSA-N
XLogP1.25
TPSA83.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-morpholin-4-yl-2-oxoethyl)-1H-indole-2-carboxylate
CID 4688270
4-hydroxy-3-(2-morpholin-4-yl-2-oxoethyl)-1H-quinolin-2-one
CID 54697772
propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate
CID 171483490
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid
CID 4648254
1-(azepan-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31849728
2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 31853042
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
(2-amino-1H-indol-3-yl)-morpholin-4-ylmethanone
CID 135038079
2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone
CID 5047819
2-(2-methyl-1H-indol-3-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 31955040
3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinazoline-2,4-dione
CID 4910902

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone (CID 137258836) is 2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone is C/C(=N\N)c1[nH]c2ccccc2c1CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone?
The InChIKey is JPKCFODZPNZYIQ-YBFXNURJSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(19-17)16-13(12-4-2-3-5-14(12)18-16)10-15(21)20-6-8-22-9-7-20/h2-5,18H,6-10,17H2,1H3/b19-11+.
What are the key properties of 2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone?
2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone has a molecular weight of 300.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethanehydrazonoyl-1H-indol-3-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 137258836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).