N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide

C17H16N2O6 — CID 7657917

IUPACN'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide
SMILESCOc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccccc1O
InChIInChI=1S/C17H16N2O6/c1-23-12-8-7-10-13(14(12)24-2)17(22)25-16(10)19-18-15(21)9-5-3-4-6-11(9)20/h3-8,16,19-20H,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyQNJLXSLSIKISDI-INIZCTEOSA-N
MW344.32 g/mol
LogP1.51
Rot. Bonds5

About N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide

N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide (PubChem CID 7657917) has the molecular formula C17H16N2O6 and a molecular weight of 344.32 g/mol. Its IUPAC name is N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide
PubChem CID7657917
Molecular FormulaC17H16N2O6
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC NameN'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide
SMILESCOc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccccc1O
InChIInChI=1S/C17H16N2O6/c1-23-12-8-7-10-13(14(12)24-2)17(22)25-16(10)19-18-15(21)9-5-3-4-6-11(9)20/h3-8,16,19-20H,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyQNJLXSLSIKISDI-INIZCTEOSA-N
XLogP1.51
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-2-methoxybenzohydrazide
CID 4763408
N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide
CID 7657933
4-bromo-N'-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)benzohydrazide
CID 4763419
N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide
CID 950585
N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide
CID 40588533
3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2849172
(3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one
CID 909136
(3R)-3-(2-hydroxy-6-methylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 7657778
3-[(5-bromo-2-pyridinyl)amino]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3131561
3-[[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]benzoic acid
CID 7657786
3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3807565
(3R)-3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 949985

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide (CID 7657917) is N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide is COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccccc1O.
What is the InChIKey of N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide?
The InChIKey is QNJLXSLSIKISDI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16N2O6/c1-23-12-8-7-10-13(14(12)24-2)17(22)25-16(10)19-18-15(21)9-5-3-4-6-11(9)20/h3-8,16,19-20H,1-2H3,(H,18,21)/t16-/m0/s1.
What are the key properties of N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide?
N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide has a molecular weight of 344.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 7657917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).