2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide

C24H23N3O2 — CID 51930335

IUPAC2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C24H23N3O2/c1-17(28)27-15-12-18-6-2-3-10-21(18)22(27)16-23(29)25-14-11-20-8-4-7-19-9-5-13-26-24(19)20/h2-10,12-13,15,22H,11,14,16H2,1H3,(H,25,29)/t22-/m0/s1
InChIKeyWKXLNPSFHXELGF-QFIPXVFZSA-N
MW385.47 g/mol
LogP3.86
Rot. Bonds5

About 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide

2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide (PubChem CID 51930335) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
PubChem CID51930335
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C24H23N3O2/c1-17(28)27-15-12-18-6-2-3-10-21(18)22(27)16-23(29)25-14-11-20-8-4-7-19-9-5-13-26-24(19)20/h2-10,12-13,15,22H,11,14,16H2,1H3,(H,25,29)/t22-/m0/s1
InChIKeyWKXLNPSFHXELGF-QFIPXVFZSA-N
XLogP3.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide 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

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-hydroxypropyl)acetamide
CID 78854714
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 166216312
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 94822682
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 29261700
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 8529460
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide
CID 25497443
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide
CID 51938187
2-[2-oxo-2-(2-quinolin-8-ylethylamino)ethoxy]-N-(2-quinolin-8-ylethyl)acetamide
CID 78847250
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]acetamide
CID 51938149
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1H-indazol-7-yl)acetamide
CID 34202769
2-(2-acetyl-1H-isoquinolin-1-yl)-N'-[2-(4-chlorophenyl)acetyl]acetohydrazide
CID 51238688

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
The IUPAC name of 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide (CID 51930335) is 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide.
What is the SMILES notation for 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
The canonical SMILES for 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide is CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCc1cccc2cccnc12.
What is the InChIKey of 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
The InChIKey is WKXLNPSFHXELGF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17(28)27-15-12-18-6-2-3-10-21(18)22(27)16-23(29)25-14-11-20-8-4-7-19-9-5-13-26-24(19)20/h2-10,12-13,15,22H,11,14,16H2,1H3,(H,25,29)/t22-/m0/s1.
What are the key properties of 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide?
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide has a molecular weight of 385.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide is sourced from PubChem (CID 51930335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).