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

C22H23N3O4 — CID 9086460

IUPACN'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1
InChIInChI=1S/C22H23N3O4/c1-3-29-18-10-8-17(9-11-18)22(28)24-23-21(27)14-20-19-7-5-4-6-16(19)12-13-25(20)15(2)26/h4-13,20H,3,14H2,1-2H3,(H,23,27)(H,24,28)/t20-/m1/s1
InChIKeyWHWYVFGBRGGJNP-HXUWFJFHSA-N
MW393.44 g/mol
LogP2.81
Rot. Bonds5

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

N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide (PubChem CID 9086460) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide
PubChem CID9086460
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1
InChIInChI=1S/C22H23N3O4/c1-3-29-18-10-8-17(9-11-18)22(28)24-23-21(27)14-20-19-7-5-4-6-16(19)12-13-25(20)15(2)26/h4-13,20H,3,14H2,1-2H3,(H,23,27)(H,24,28)/t20-/m1/s1
InChIKeyWHWYVFGBRGGJNP-HXUWFJFHSA-N
XLogP2.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethylbenzohydrazide
CID 9088106
N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide
CID 9086679
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]-5-chloro-2-methoxybenzohydrazide
CID 9085252
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-phenylacetamide
CID 8870960
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 78819865
1-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9086959
4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide
CID 26009427
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
CID 51924901

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide?
The IUPAC name of N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide (CID 9086460) is N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide.
What is the SMILES notation for N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide?
The canonical SMILES for N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1.
What is the InChIKey of N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide?
The InChIKey is WHWYVFGBRGGJNP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-29-18-10-8-17(9-11-18)22(28)24-23-21(27)14-20-19-7-5-4-6-16(19)12-13-25(20)15(2)26/h4-13,20H,3,14H2,1-2H3,(H,23,27)(H,24,28)/t20-/m1/s1.
What are the key properties of N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide?
N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide has a molecular weight of 393.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-4-ethoxybenzohydrazide is sourced from PubChem (CID 9086460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).