N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide

C20H18ClN3O3 — CID 9086679

IUPACN'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide
SMILESCC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O3/c1-13(25)24-10-9-14-5-2-3-8-17(14)18(24)12-19(26)22-23-20(27)15-6-4-7-16(21)11-15/h2-11,18H,12H2,1H3,(H,22,26)(H,23,27)/t18-/m0/s1
InChIKeyHXDYUJWVSBUGOH-SFHVURJKSA-N
MW383.84 g/mol
LogP3.07
Rot. Bonds3

About N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide

N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide (PubChem CID 9086679) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide
PubChem CID9086679
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide
SMILESCC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O3/c1-13(25)24-10-9-14-5-2-3-8-17(14)18(24)12-19(26)22-23-20(27)15-6-4-7-16(21)11-15/h2-11,18H,12H2,1H3,(H,22,26)(H,23,27)/t18-/m0/s1
InChIKeyHXDYUJWVSBUGOH-SFHVURJKSA-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'}

Analyze N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide 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-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-4-chlorobenzohydrazide
CID 51229364
N'-[2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-5-chloro-2-methoxybenzohydrazide
CID 9085252
2-(2-acetyl-1H-isoquinolin-1-yl)-N'-[2-(4-chlorophenyl)acetyl]acetohydrazide
CID 51238688
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9073401
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide
CID 51317725
2-(2-acetyl-1H-isoquinolin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 17463588
2-(2-acetyl-1H-isoquinolin-1-yl)-N'-[2-(2-methoxyanilino)acetyl]acetohydrazide
CID 55495931
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-hydroxypropyl)acetamide
CID 78854714
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 51870085
4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide
CID 26009427
benzyl 2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]acetate
CID 51238546

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide (CID 9086679) is N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide is CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide?
The InChIKey is HXDYUJWVSBUGOH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-13(25)24-10-9-14-5-2-3-8-17(14)18(24)12-19(26)22-23-20(27)15-6-4-7-16(21)11-15/h2-11,18H,12H2,1H3,(H,22,26)(H,23,27)/t18-/m0/s1.
What are the key properties of N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide?
N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-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-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide is sourced from PubChem (CID 9086679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).