7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

C20H20N4O3 — CID 155958916

IUPAC7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESCC(Cc1cncc2ccccc12)C(=O)N1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C20H20N4O3/c1-12(8-14-10-21-9-13-4-2-3-5-15(13)14)19(26)24-7-6-16-17(11-24)22-20(27)23-18(16)25/h2-5,9-10,12H,6-8,11H2,1H3,(H2,22,23,25,27)
InChIKeyQZJUQTPVLDJVCV-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.37
Rot. Bonds3

About 7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 155958916) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID155958916
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESCC(Cc1cncc2ccccc12)C(=O)N1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C20H20N4O3/c1-12(8-14-10-21-9-13-4-2-3-5-15(13)14)19(26)24-7-6-16-17(11-24)22-20(27)23-18(16)25/h2-5,9-10,12H,6-8,11H2,1H3,(H2,22,23,25,27)
InChIKeyQZJUQTPVLDJVCV-UHFFFAOYSA-N
XLogP1.37
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 154779553
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-isoquinolin-4-yl-2-methylpropanoate
CID 166201596
2-(2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-N-(1-naphthalen-2-ylethyl)propanamide
CID 155958981
7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958921
N-[3-hydroxy-1-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 3586130
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
CID 166288184
2-acetamido-3-isoquinolin-4-ylpropanoic acid
CID 104504316
7-[(2R)-2-imidazol-1-ylpropanoyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136706442
(2S)-2-amino-3-isoquinolin-4-ylpropanoic acid
CID 103693021
(2R)-3-(1H-indol-3-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-methylpropan-1-one
CID 42506990
7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 167856689
3-(3-fluorophenyl)-1-(4-isoquinolin-4-ylpiperazin-1-yl)-2-methylpropan-1-one
CID 126766788

Frequently Asked Questions

What is the IUPAC name of 7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (CID 155958916) is 7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is CC(Cc1cncc2ccccc12)C(=O)N1CCc2c([nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is QZJUQTPVLDJVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12(8-14-10-21-9-13-4-2-3-5-15(13)14)19(26)24-7-6-16-17(11-24)22-20(27)23-18(16)25/h2-5,9-10,12H,6-8,11H2,1H3,(H2,22,23,25,27).
What are the key properties of 7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 364.41 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155958916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).