6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one

C23H25NO5 — CID 58514150

IUPAC6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one
SMILESCOc1cc2c(cc1OC)CN(CCC(=O)c1ccc3c(c1)CC(=O)CO3)CC2
InChIInChI=1S/C23H25NO5/c1-27-22-11-15-5-7-24(13-18(15)12-23(22)28-2)8-6-20(26)16-3-4-21-17(9-16)10-19(25)14-29-21/h3-4,9,11-12H,5-8,10,13-14H2,1-2H3
InChIKeyUGGCHEIUFZXMBE-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.84
Rot. Bonds6

About 6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one

6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one (PubChem CID 58514150) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one.

Molecular Properties

Compound Name6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one
PubChem CID58514150
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one
SMILESCOc1cc2c(cc1OC)CN(CCC(=O)c1ccc3c(c1)CC(=O)CO3)CC2
InChIInChI=1S/C23H25NO5/c1-27-22-11-15-5-7-24(13-18(15)12-23(22)28-2)8-6-20(26)16-3-4-21-17(9-16)10-19(25)14-29-21/h3-4,9,11-12H,5-8,10,13-14H2,1-2H3
InChIKeyUGGCHEIUFZXMBE-UHFFFAOYSA-N
XLogP2.84
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 75488987
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 75488986
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide
CID 109031254
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)hexan-3-one
CID 106801127
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl chloride
CID 142769161
N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide
CID 109022905
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109031290
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
CID 109031268
4-acetyl-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide
CID 21092141
2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 63028126
6,7-dimethoxy-2-[2-[6-(4-methoxyphenyl)-2H-chromen-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 118719374

Frequently Asked Questions

What is the IUPAC name of 6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one?
The IUPAC name of 6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one (CID 58514150) is 6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one.
What is the SMILES notation for 6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one?
The canonical SMILES for 6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one is COc1cc2c(cc1OC)CN(CCC(=O)c1ccc3c(c1)CC(=O)CO3)CC2.
What is the InChIKey of 6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one?
The InChIKey is UGGCHEIUFZXMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-27-22-11-15-5-7-24(13-18(15)12-23(22)28-2)8-6-20(26)16-3-4-21-17(9-16)10-19(25)14-29-21/h3-4,9,11-12H,5-8,10,13-14H2,1-2H3.
What are the key properties of 6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one?
6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one has a molecular weight of 395.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-4H-chromen-3-one is sourced from PubChem (CID 58514150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).