2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide

C23H22N2O4 — CID 126800421

IUPAC2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide
SMILESCOc1ccc2c(c1)CN(C(=O)c1ccoc1CC(N)=O)C(c1ccccc1)C2
InChIInChI=1S/C23H22N2O4/c1-28-18-8-7-16-12-20(15-5-3-2-4-6-15)25(14-17(16)11-18)23(27)19-9-10-29-21(19)13-22(24)26/h2-11,20H,12-14H2,1H3,(H2,24,26)
InChIKeyFITYLWBBWPSABV-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.26
Rot. Bonds5

About 2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide

2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide (PubChem CID 126800421) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide
PubChem CID126800421
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide
SMILESCOc1ccc2c(c1)CN(C(=O)c1ccoc1CC(N)=O)C(c1ccccc1)C2
InChIInChI=1S/C23H22N2O4/c1-28-18-8-7-16-12-20(15-5-3-2-4-6-15)25(14-17(16)11-18)23(27)19-9-10-29-21(19)13-22(24)26/h2-11,20H,12-14H2,1H3,(H2,24,26)
InChIKeyFITYLWBBWPSABV-UHFFFAOYSA-N
XLogP3.26
TPSA85.77 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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide 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

3-amino-1-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 119340090
[5-(aminomethyl)furan-3-yl]-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 126795243
4-amino-1-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 120563732
1-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride
CID 119812460
(4-ethylthiadiazol-5-yl)-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 126778682
3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 119163734
(2-ethylfuran-3-yl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481343
4-amino-1-(7-chloro-3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 119344880
2-(4-methoxy-2-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195598
7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 119932291
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 3877621
7-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 21224021

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide?
The IUPAC name of 2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide (CID 126800421) is 2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide.
What is the SMILES notation for 2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide?
The canonical SMILES for 2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide is COc1ccc2c(c1)CN(C(=O)c1ccoc1CC(N)=O)C(c1ccccc1)C2.
What is the InChIKey of 2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide?
The InChIKey is FITYLWBBWPSABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-28-18-8-7-16-12-20(15-5-3-2-4-6-15)25(14-17(16)11-18)23(27)19-9-10-29-21(19)13-22(24)26/h2-11,20H,12-14H2,1H3,(H2,24,26).
What are the key properties of 2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide?
2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)furan-2-yl]acetamide is sourced from PubChem (CID 126800421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).