2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide

C21H19Cl2N3O — CID 24831481

IUPAC2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2nccc3ccccc23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H19Cl2N3O/c22-18-7-3-6-17(19(18)23)21(27)25-15-9-12-26(13-10-15)20-16-5-2-1-4-14(16)8-11-24-20/h1-8,11,15H,9-10,12-13H2,(H,25,27)
InChIKeyPQWKGDCQGBBBOU-UHFFFAOYSA-N
MW400.31 g/mol
LogP4.94
Rot. Bonds3

About 2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide

2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide (PubChem CID 24831481) has the molecular formula C21H19Cl2N3O and a molecular weight of 400.31 g/mol. Its IUPAC name is 2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide
PubChem CID24831481
Molecular FormulaC21H19Cl2N3O
Molecular Weight400.31 g/mol
Exact Mass399.09
IUPAC Name2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2nccc3ccccc23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C21H19Cl2N3O/c22-18-7-3-6-17(19(18)23)21(27)25-15-9-12-26(13-10-15)20-16-5-2-1-4-14(16)8-11-24-20/h1-8,11,15H,9-10,12-13H2,(H,25,27)
InChIKeyPQWKGDCQGBBBOU-UHFFFAOYSA-N
XLogP4.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide 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

2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide;2,3-dichloro-N-[1-[6-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide
CID 161483146
2,3-dichloro-N-[1-(6-cyanoisoquinolin-1-yl)piperidin-4-yl]benzamide
CID 68879436
2,3-dichloro-N-[1-[7-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide
CID 68878574
2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide
CID 68879893
N-[1-(6-bromoisoquinolin-1-yl)piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-(6-fluoroisoquinolin-1-yl)piperidin-4-yl]benzamide
CID 87610744
benzene;2,3-dichloro-N-[1-(3-ethynylisoquinolin-1-yl)piperidin-4-yl]benzamide
CID 87610883
3-chloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)-2-methylbenzamide;N-(1-isoquinolin-1-ylpiperidin-4-yl)-4-phenoxybenzamide
CID 68880252
2,3-dichloro-N-[1-(6-cyanoisoquinolin-1-yl)piperidin-4-yl]benzamide;2,3-dichloro-N-[1-(6-methoxyisoquinolin-1-yl)piperidin-4-yl]benzamide
CID 68879985
N-[1-(6-chloroisoquinolin-1-yl)piperidin-4-yl]-2-fluorobenzamide
CID 68880991
N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide
CID 68879453
N-[1-(7-bromoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-(8-chloroquinazolin-4-yl)piperidin-4-yl]benzamide
CID 161021022
2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166287246

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide (CID 24831481) is 2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide is O=C(NC1CCN(c2nccc3ccccc23)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide?
The InChIKey is PQWKGDCQGBBBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O/c22-18-7-3-6-17(19(18)23)21(27)25-15-9-12-26(13-10-15)20-16-5-2-1-4-14(16)8-11-24-20/h1-8,11,15H,9-10,12-13H2,(H,25,27).
What are the key properties of 2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide?
2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide has a molecular weight of 400.31 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 24831481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).