7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione

C19H20N4O3 — CID 53111900

IUPAC7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccn(CC(=O)N3CCc4ccccc4C3)c2n(C)c1=O
InChIInChI=1S/C19H20N4O3/c1-20-17-15(18(25)21(2)19(20)26)8-10-23(17)12-16(24)22-9-7-13-5-3-4-6-14(13)11-22/h3-6,8,10H,7,9,11-12H2,1-2H3
InChIKeyOARFKOQGYDPUJK-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.62
Rot. Bonds2

About 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione

7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 53111900) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID53111900
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccn(CC(=O)N3CCc4ccccc4C3)c2n(C)c1=O
InChIInChI=1S/C19H20N4O3/c1-20-17-15(18(25)21(2)19(20)26)8-10-23(17)12-16(24)22-9-7-13-5-3-4-6-14(13)11-22/h3-6,8,10H,7,9,11-12H2,1-2H3
InChIKeyOARFKOQGYDPUJK-UHFFFAOYSA-N
XLogP0.62
TPSA69.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione 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

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416
1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 120995731
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propane-1,3-dione
CID 108944341
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4876009
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18108195
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carboxamide
CID 47059443
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]indole-3-carbaldehyde
CID 951768
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 18108216
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110852332
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione (CID 53111900) is 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccn(CC(=O)N3CCc4ccccc4C3)c2n(C)c1=O.
What is the InChIKey of 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is OARFKOQGYDPUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-20-17-15(18(25)21(2)19(20)26)8-10-23(17)12-16(24)22-9-7-13-5-3-4-6-14(13)11-22/h3-6,8,10H,7,9,11-12H2,1-2H3.
What are the key properties of 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 352.39 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53111900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).