N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide

C20H18ClN3O3 — CID 51229364

IUPACN'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O3/c1-13(25)24-11-10-14-4-2-3-5-17(14)18(24)12-19(26)22-23-20(27)15-6-8-16(21)9-7-15/h2-11,18H,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyMUEPQBDZXVTCOE-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.07
Rot. Bonds3

About N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide

N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide (PubChem CID 51229364) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide
PubChem CID51229364
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide
SMILESCC(=O)N1C=Cc2ccccc2C1CC(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN3O3/c1-13(25)24-11-10-14-4-2-3-5-17(14)18(24)12-19(26)22-23-20(27)15-6-8-16(21)9-7-15/h2-11,18H,12H2,1H3,(H,22,26)(H,23,27)
InChIKeyMUEPQBDZXVTCOE-UHFFFAOYSA-N
XLogP3.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide
CID 9086679
N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethylbenzohydrazide
CID 9088106
2-(2-acetyl-1H-isoquinolin-1-yl)-N'-[2-(4-chlorophenyl)acetyl]acetohydrazide
CID 51238688
N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide
CID 9086460
N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide
CID 18109177
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
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide
CID 51317725
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607
4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-methylbenzamide
CID 17478920
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide (CID 51229364) is N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide is CC(=O)N1C=Cc2ccccc2C1CC(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide?
The InChIKey is MUEPQBDZXVTCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-13(25)24-11-10-14-4-2-3-5-17(14)18(24)12-19(26)22-23-20(27)15-6-8-16(21)9-7-15/h2-11,18H,12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide?
N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide has a molecular weight of 383.84 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide is sourced from PubChem (CID 51229364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).