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

C24H24N2O4 — CID 16943212

IUPACN-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1
InChIInChI=1S/C24H24N2O4/c1-29-21-9-4-17(5-10-21)6-11-23(27)25-20-8-7-18-12-13-26(16-19(18)15-20)24(28)22-3-2-14-30-22/h2-5,7-10,14-15H,6,11-13,16H2,1H3,(H,25,27)
InChIKeyRYYWADSXJQTZRB-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.06
Rot. Bonds6

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

N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 16943212) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID16943212
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1
InChIInChI=1S/C24H24N2O4/c1-29-21-9-4-17(5-10-21)6-11-23(27)25-20-8-7-18-12-13-26(16-19(18)15-20)24(28)22-3-2-14-30-22/h2-5,7-10,14-15H,6,11-13,16H2,1H3,(H,25,27)
InChIKeyRYYWADSXJQTZRB-UHFFFAOYSA-N
XLogP4.06
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide 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-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-methoxyphenyl)acetamide
CID 16943190
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
3-(4-methoxyphenyl)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
CID 16929997
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
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149409
N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 59158679
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide (CID 16943212) is N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=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]-3-(4-methoxyphenyl)propanamide?
The InChIKey is RYYWADSXJQTZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-29-21-9-4-17(5-10-21)6-11-23(27)25-20-8-7-18-12-13-26(16-19(18)15-20)24(28)22-3-2-14-30-22/h2-5,7-10,14-15H,6,11-13,16H2,1H3,(H,25,27).
What are the key properties of N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide?
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 404.47 g/mol, XLogP of 4.06, 6 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]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 16943212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).