N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide

C20H19N3O4 — CID 18109177

IUPACN'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C20H19N3O4/c1-13(24)23-11-10-14-6-2-3-7-15(14)17(23)12-19(26)21-22-20(27)16-8-4-5-9-18(16)25/h2-11,17,25H,12H2,1H3,(H,21,26)(H,22,27)
InChIKeyFXLDCFVDBQHIQT-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.12
Rot. Bonds3

About N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide

N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide (PubChem CID 18109177) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide
PubChem CID18109177
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C20H19N3O4/c1-13(24)23-11-10-14-6-2-3-7-15(14)17(23)12-19(26)21-22-20(27)16-8-4-5-9-18(16)25/h2-11,17,25H,12H2,1H3,(H,21,26)(H,22,27)
InChIKeyFXLDCFVDBQHIQT-UHFFFAOYSA-N
XLogP2.12
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide
CID 51229364
N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethylbenzohydrazide
CID 9088106
N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-5-chloro-2-methoxybenzohydrazide
CID 9085252
N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-1H-pyrrole-2-carbohydrazide
CID 78818003
N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide
CID 9086679
N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide
CID 9086460
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N'-[2-(4-fluorophenyl)acetyl]acetohydrazide
CID 9091953
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
2-(2-acetyl-1H-isoquinolin-1-yl)-N'-[2-(2-methoxyanilino)acetyl]acetohydrazide
CID 55495931
2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-benzylbenzamide
CID 43052968
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N'-[2-(2,5-dimethylphenoxy)acetyl]acetohydrazide
CID 51546082
4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-methylbenzamide
CID 17478920

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide (CID 18109177) is N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide is CC(=O)N1C=Cc2ccccc2C1CC(=O)NNC(=O)c1ccccc1O.
What is the InChIKey of N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide?
The InChIKey is FXLDCFVDBQHIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13(24)23-11-10-14-6-2-3-7-15(14)17(23)12-19(26)21-22-20(27)16-8-4-5-9-18(16)25/h2-11,17,25H,12H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide?
N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide has a molecular weight of 365.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 18109177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).