3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide

C24H26ClN3O3 — CID 59579651

IUPAC3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1cccc2c(=O)n(CCN3CCOCC3)ccc12
InChIInChI=1S/C24H26ClN3O3/c25-19-4-1-3-18(17-19)7-8-23(29)26-22-6-2-5-21-20(22)9-10-28(24(21)30)12-11-27-13-15-31-16-14-27/h1-6,9-10,17H,7-8,11-16H2,(H,26,29)
InChIKeyULNMNDXGSMTOFT-UHFFFAOYSA-N
MW439.94 g/mol
LogP3.56
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide

3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide (PubChem CID 59579651) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide
PubChem CID59579651
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide
SMILESO=C(CCc1cccc(Cl)c1)Nc1cccc2c(=O)n(CCN3CCOCC3)ccc12
InChIInChI=1S/C24H26ClN3O3/c25-19-4-1-3-18(17-19)7-8-23(29)26-22-6-2-5-21-20(22)9-10-28(24(21)30)12-11-27-13-15-31-16-14-27/h1-6,9-10,17H,7-8,11-16H2,(H,26,29)
InChIKeyULNMNDXGSMTOFT-UHFFFAOYSA-N
XLogP3.56
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 59579373
2-(4-ethoxyphenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 59579714
3-(4-chlorophenyl)-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]propanamide
CID 59579428
3-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]propanamide
CID 24760580
2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 24760068
3-(1,3-benzodioxol-5-yl)-N-[1-oxo-2-[3-(2-oxopyrrolidin-1-yl)propyl]isoquinolin-5-yl]propanamide
CID 59579755
N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754
3-(3-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 47135378
2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994936
N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 2990376
3-(2-methylphenyl)-N-[2-(oxan-4-ylmethyl)-1-oxoisoquinolin-5-yl]propanamide
CID 59579417
3-(3-chlorophenyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)propanamide
CID 110625547

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide (CID 59579651) is 3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide is O=C(CCc1cccc(Cl)c1)Nc1cccc2c(=O)n(CCN3CCOCC3)ccc12.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide?
The InChIKey is ULNMNDXGSMTOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c25-19-4-1-3-18(17-19)7-8-23(29)26-22-6-2-5-21-20(22)9-10-28(24(21)30)12-11-27-13-15-31-16-14-27/h1-6,9-10,17H,7-8,11-16H2,(H,26,29).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide?
3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide has a molecular weight of 439.94 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide is sourced from PubChem (CID 59579651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).