3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

C22H16N4O3S — CID 170773667

IUPAC3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1cnc(C)c(-c2cc3[nH]c(=O)n(-c4cncc5ccccc45)c(=O)c3s2)c1
InChIInChI=1S/C22H16N4O3S/c1-12-16(7-14(29-2)10-24-12)19-8-17-20(30-19)21(27)26(22(28)25-17)18-11-23-9-13-5-3-4-6-15(13)18/h3-11H,1-2H3,(H,25,28)
InChIKeyHVDRYBCJQMNLKK-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.67
Rot. Bonds3

About 3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 170773667) has the molecular formula C22H16N4O3S and a molecular weight of 416.46 g/mol. Its IUPAC name is 3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID170773667
Molecular FormulaC22H16N4O3S
Molecular Weight416.46 g/mol
Exact Mass416.09
IUPAC Name3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1cnc(C)c(-c2cc3[nH]c(=O)n(-c4cncc5ccccc45)c(=O)c3s2)c1
InChIInChI=1S/C22H16N4O3S/c1-12-16(7-14(29-2)10-24-12)19-8-17-20(30-19)21(27)26(22(28)25-17)18-11-23-9-13-5-3-4-6-15(13)18/h3-11H,1-2H3,(H,25,28)
InChIKeyHVDRYBCJQMNLKK-UHFFFAOYSA-N
XLogP3.67
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

6-(4-fluoro-2-propan-2-yloxyphenyl)-3-isoquinolin-4-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 170773671
3-(8-chloroisoquinolin-4-yl)-6-(2-chloro-5-methoxyphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 170773505
4-(3-isoquinolin-4-yl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)pyridine-3-carbonitrile
CID 170773511
7-(2-fluoro-5-methoxyphenyl)-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170772575
7-(2-chloro-3-fluoro-5-methoxyphenyl)-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170772694
6-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazolo[3,4-c]pyridin-4-yl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 170772922
6-(2-chloro-5-methoxyphenyl)-3-[6-(2,2,6,6-tetrafluoromorpholin-4-yl)isoquinolin-4-yl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 170772449
7-(5-chloro-2-methoxy-4-pyridinyl)-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170773339
3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione
CID 170773945
7-(2-chloro-4-fluoro-5-methoxyphenyl)-6-fluoro-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170772818
7-(2-chlorophenyl)-3-isoquinolin-4-yl-6-methyl-1H-quinazoline-2,4-dione
CID 170772873
6-(4-fluoro-2-propan-2-yloxyphenyl)-3-naphthalen-1-yl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 175627238

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 170773667) is 3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is COc1cnc(C)c(-c2cc3[nH]c(=O)n(-c4cncc5ccccc45)c(=O)c3s2)c1.
What is the InChIKey of 3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is HVDRYBCJQMNLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3S/c1-12-16(7-14(29-2)10-24-12)19-8-17-20(30-19)21(27)26(22(28)25-17)18-11-23-9-13-5-3-4-6-15(13)18/h3-11H,1-2H3,(H,25,28).
What are the key properties of 3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 416.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-4-yl-6-(5-methoxy-2-methyl-3-pyridinyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 170773667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).