N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide

C20H19ClN2O3 — CID 58973974

IUPACN-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1c(Cl)ccc2c(=O)n(CCO)ccc12)c1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-13(14-5-3-2-4-6-14)19(25)22-18-15-9-10-23(11-12-24)20(26)16(15)7-8-17(18)21/h2-10,13,24H,11-12H2,1H3,(H,22,25)
InChIKeyAFHGCTYIJMQGCK-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.39
Rot. Bonds5

About N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide

N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide (PubChem CID 58973974) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide
PubChem CID58973974
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1c(Cl)ccc2c(=O)n(CCO)ccc12)c1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-13(14-5-3-2-4-6-14)19(25)22-18-15-9-10-23(11-12-24)20(26)16(15)7-8-17(18)21/h2-10,13,24H,11-12H2,1H3,(H,22,25)
InChIKeyAFHGCTYIJMQGCK-UHFFFAOYSA-N
XLogP3.39
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide 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-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-(3,4-dichlorophenyl)acetamide
CID 24760009
N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 24760889
2-(4-chloro-3-fluorophenyl)-N-[6-chloro-2-[(2R)-2-hydroxypropyl]-1-oxoisoquinolin-5-yl]acetamide
CID 69045263
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 24760068
(2R)-2-(3,4-dichlorophenyl)-N-[2-[(2R)-1-hydroxypropan-2-yl]-1-oxoisoquinolin-5-yl]propanamide
CID 59515705
(2S)-N-[2-(2-amino-2-oxo-1-phenylethyl)-1-oxoisoquinolin-5-yl]-2-(4-chlorophenyl)propanamide
CID 58973983
(2R)-N-(2,3-dichlorophenyl)-2-phenylpropanamide
CID 97038158
N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide
CID 114028820
(2S)-N-[2-(2-amino-2-oxo-1-phenylethyl)-1-oxoisoquinolin-5-yl]-2-[4-(chloromethyl)phenyl]propanamide
CID 89022513
N-[6-chloro-2-[(2R)-1-hydroxypropan-2-yl]-1-oxoisoquinolin-5-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 25012144
(2R)-2-[5-[[(2S)-2-(4-chlorophenyl)propanoyl]amino]-1-oxoisoquinolin-2-yl]-3-methylbutanoic acid
CID 59515709

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide?
The IUPAC name of N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide (CID 58973974) is N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide.
What is the SMILES notation for N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide?
The canonical SMILES for N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide is CC(C(=O)Nc1c(Cl)ccc2c(=O)n(CCO)ccc12)c1ccccc1.
What is the InChIKey of N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide?
The InChIKey is AFHGCTYIJMQGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13(14-5-3-2-4-6-14)19(25)22-18-15-9-10-23(11-12-24)20(26)16(15)7-8-17(18)21/h2-10,13,24H,11-12H2,1H3,(H,22,25).
What are the key properties of N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide?
N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide has a molecular weight of 370.84 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-phenylpropanamide is sourced from PubChem (CID 58973974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).