7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one

C19H20N4O3 — CID 66887314

IUPAC7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCC(=O)N1CCc2ccc(NNc3ccc4c(c3)OCC(=O)N4C)cc21
InChIInChI=1S/C19H20N4O3/c1-12(24)23-8-7-13-3-4-14(9-17(13)23)20-21-15-5-6-16-18(10-15)26-11-19(25)22(16)2/h3-6,9-10,20-21H,7-8,11H2,1-2H3
InChIKeyMZXGSUVKOOTBLM-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.39
Rot. Bonds3

About 7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one

7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 66887314) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one
PubChem CID66887314
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one
SMILESCC(=O)N1CCc2ccc(NNc3ccc4c(c3)OCC(=O)N4C)cc21
InChIInChI=1S/C19H20N4O3/c1-12(24)23-8-7-13-3-4-14(9-17(13)23)20-21-15-5-6-16-18(10-15)26-11-19(25)22(16)2/h3-6,9-10,20-21H,7-8,11H2,1-2H3
InChIKeyMZXGSUVKOOTBLM-UHFFFAOYSA-N
XLogP2.39
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2,3-dihydroindole-5-sulfonamide
CID 46970401
1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)urea
CID 166231822
4-methyl-7-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 116994835
5-[[(1-acetyl-2,3-dihydroindol-6-yl)amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537032
7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one
CID 82212148
1,3-dimethyl-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2,4-dioxopyrimidine-5-carboxamide
CID 84550997
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
2-[(1-acetyl-2,3-dihydroindol-6-yl)hydrazinylidene]propanedinitrile
CID 169337871
1-[6-(4,5-dihydro-1H-imidazol-2-ylamino)-2,3-dihydroindol-1-yl]ethanone;hydroiodide
CID 45260042
1-(6-isocyano-2,3-dihydroindol-1-yl)ethanone
CID 59468783
(E)-3-(4-aminophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)prop-2-enamide
CID 84552139
N-(1-acetyl-2,3-dihydroindol-6-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 110627246

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one (CID 66887314) is 7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one is CC(=O)N1CCc2ccc(NNc3ccc4c(c3)OCC(=O)N4C)cc21.
What is the InChIKey of 7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is MZXGSUVKOOTBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(24)23-8-7-13-3-4-14(9-17(13)23)20-21-15-5-6-16-18(10-15)26-11-19(25)22(16)2/h3-6,9-10,20-21H,7-8,11H2,1-2H3.
What are the key properties of 7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one?
7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 352.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1-acetyl-2,3-dihydroindol-6-yl)hydrazinyl]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 66887314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).