4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide

C24H24ClN3O3 — CID 59579808

IUPAC4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide
SMILESCc1cc(C(=O)Nc2cccc3c(=O)n(CCCN4CCCC4=O)ccc23)ccc1Cl
InChIInChI=1S/C24H24ClN3O3/c1-16-15-17(8-9-20(16)25)23(30)26-21-6-2-5-19-18(21)10-14-28(24(19)31)13-4-12-27-11-3-7-22(27)29/h2,5-6,8-10,14-15H,3-4,7,11-13H2,1H3,(H,26,30)
InChIKeyPHARGZUURMMPAN-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.23
Rot. Bonds6

About 4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide

4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide (PubChem CID 59579808) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide
PubChem CID59579808
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide
SMILESCc1cc(C(=O)Nc2cccc3c(=O)n(CCCN4CCCC4=O)ccc23)ccc1Cl
InChIInChI=1S/C24H24ClN3O3/c1-16-15-17(8-9-20(16)25)23(30)26-21-6-2-5-19-18(21)10-14-28(24(19)31)13-4-12-27-11-3-7-22(27)29/h2,5-6,8-10,14-15H,3-4,7,11-13H2,1H3,(H,26,30)
InChIKeyPHARGZUURMMPAN-UHFFFAOYSA-N
XLogP4.23
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]acetamide
CID 59579383
2-(4-methoxy-3-methylphenyl)-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]acetamide
CID 59579377
3-(1,3-benzodioxol-5-yl)-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]propanamide
CID 59579755
N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 130372707
3,5-dichloro-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]benzamide
CID 59515889
5-chloro-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide
CID 59579446
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
N-(2,3-dichlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51219042
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 94872752
2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 59579552
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide?
The IUPAC name of 4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide (CID 59579808) is 4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide.
What is the SMILES notation for 4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide?
The canonical SMILES for 4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide is Cc1cc(C(=O)Nc2cccc3c(=O)n(CCCN4CCCC4=O)ccc23)ccc1Cl.
What is the InChIKey of 4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide?
The InChIKey is PHARGZUURMMPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-16-15-17(8-9-20(16)25)23(30)26-21-6-2-5-19-18(21)10-14-28(24(19)31)13-4-12-27-11-3-7-22(27)29/h2,5-6,8-10,14-15H,3-4,7,11-13H2,1H3,(H,26,30).
What are the key properties of 4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide?
4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide has a molecular weight of 437.93 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]benzamide is sourced from PubChem (CID 59579808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).