N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide

C23H22N2O4 — CID 16943190

IUPACN-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1
InChIInChI=1S/C23H22N2O4/c1-28-20-8-4-16(5-9-20)13-22(26)24-19-7-6-17-10-11-25(15-18(17)14-19)23(27)21-3-2-12-29-21/h2-9,12,14H,10-11,13,15H2,1H3,(H,24,26)
InChIKeyHHEQLECSDIBGGU-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide

N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 16943190) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID16943190
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1
InChIInChI=1S/C23H22N2O4/c1-28-20-8-4-16(5-9-20)13-22(26)24-19-7-6-17-10-11-25(15-18(17)14-19)23(27)21-3-2-12-29-21/h2-9,12,14H,10-11,13,15H2,1H3,(H,24,26)
InChIKeyHHEQLECSDIBGGU-UHFFFAOYSA-N
XLogP3.67
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide
CID 16943212
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide
CID 16943271
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methylphenoxy)acetamide
CID 16943302
2-(2-chlorophenoxy)-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16943317
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-dimethylbenzamide
CID 16943267
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16930454
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-ethoxyphenyl)acetamide
CID 16942838
3,4-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943248
1-bromo-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]methanesulfonamide
CID 16944023
2,5-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943244
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(2-methylpropoxy)benzenesulfonamide
CID 16944049
furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47284651

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide (CID 16943190) is N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1.
What is the InChIKey of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is HHEQLECSDIBGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-28-20-8-4-16(5-9-20)13-22(26)24-19-7-6-17-10-11-25(15-18(17)14-19)23(27)21-3-2-12-29-21/h2-9,12,14H,10-11,13,15H2,1H3,(H,24,26).
What are the key properties of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide?
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16943190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).