5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one

C16H12ClN3O3 — CID 135998444

IUPAC5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1C1Nc2ccc(O)cc2/C1=N/O
InChIInChI=1S/C16H12ClN3O3/c17-7-1-3-11-9(5-7)13(16(22)19-11)15-14(20-23)10-6-8(21)2-4-12(10)18-15/h1-6,13,15,18,21,23H,(H,19,22)/b20-14-
InChIKeyQYYPXEPZRNQBBD-ZHZULCJRSA-N
MW329.74 g/mol
LogP2.75
Rot. Bonds1

About 5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one

5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one (PubChem CID 135998444) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one
PubChem CID135998444
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1C1Nc2ccc(O)cc2/C1=N/O
InChIInChI=1S/C16H12ClN3O3/c17-7-1-3-11-9(5-7)13(16(22)19-11)15-14(20-23)10-6-8(21)2-4-12(10)18-15/h1-6,13,15,18,21,23H,(H,19,22)/b20-14-
InChIKeyQYYPXEPZRNQBBD-ZHZULCJRSA-N
XLogP2.75
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3Z)-3-hydrazinylidene-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one
CID 172939962
5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one
CID 171716800
5-chloro-3-(cyclohexylmethyl)-1,3-dihydroindol-2-one
CID 19076497
(3R,4S)-6-chloro-4-phenyl-3-piperidin-1-ium-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 6937237
3-(4-bromo-2,6-dichloroanilino)-5-chloro-1,3-dihydroindol-2-one
CID 43126586
5-chloro-3-[(4-hydroxy-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 91132668
(3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 154640215
(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 26367680
methyl 2-[(5-chloro-2-oxo-1,3-dihydroindol-3-yl)amino]acetate
CID 43190830
8-chloro-2-hydroxy-5H-benzo[b][1,4]benzoxazepin-6-one
CID 71651718
9-amino-7-chloro-9H-fluoren-2-ol
CID 82578640
(3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde
CID 98093390

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one (CID 135998444) is 5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(Cl)cc2C1C1Nc2ccc(O)cc2/C1=N/O.
What is the InChIKey of 5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one?
The InChIKey is QYYPXEPZRNQBBD-ZHZULCJRSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-7-1-3-11-9(5-7)13(16(22)19-11)15-14(20-23)10-6-8(21)2-4-12(10)18-15/h1-6,13,15,18,21,23H,(H,19,22)/b20-14-.
What are the key properties of 5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one?
5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one has a molecular weight of 329.74 g/mol, XLogP of 2.75, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3Z)-5-hydroxy-3-hydroxyimino-1,2-dihydroindol-2-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 135998444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).