N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide

C22H24N2O4 — CID 59579676

IUPACN-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOCCn1ccc2c(NC(=O)CCc3ccccc3OC)cccc2c1=O
InChIInChI=1S/C22H24N2O4/c1-27-15-14-24-13-12-17-18(22(24)26)7-5-8-19(17)23-21(25)11-10-16-6-3-4-9-20(16)28-2/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,23,25)
InChIKeyKACKCHNAKQBVHC-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.23
Rot. Bonds8

About N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide

N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide (PubChem CID 59579676) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide
PubChem CID59579676
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide
SMILESCOCCn1ccc2c(NC(=O)CCc3ccccc3OC)cccc2c1=O
InChIInChI=1S/C22H24N2O4/c1-27-15-14-24-13-12-17-18(22(24)26)7-5-8-19(17)23-21(25)11-10-16-6-3-4-9-20(16)28-2/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,23,25)
InChIKeyKACKCHNAKQBVHC-UHFFFAOYSA-N
XLogP3.23
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]propanamide
CID 59579428
N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 59579483
3-(2-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)-1-oxoisoquinolin-5-yl]propanamide
CID 24760347
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 59579552
N-[1-(2-methoxyethyl)indol-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-6-yl)propanamide
CID 56763715
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide
CID 110734435
N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293315
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxy-N-propylacetamide
CID 7293336
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384
N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 59579731

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide (CID 59579676) is N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide is COCCn1ccc2c(NC(=O)CCc3ccccc3OC)cccc2c1=O.
What is the InChIKey of N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is KACKCHNAKQBVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-15-14-24-13-12-17-18(22(24)26)7-5-8-19(17)23-21(25)11-10-16-6-3-4-9-20(16)28-2/h3-9,12-13H,10-11,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide?
N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 380.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 59579676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).