3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione

C19H16N4O4 — CID 67284316

IUPAC3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione
SMILESO=C1c2cccc(-n3c(=O)[nH]c4cnccc4c3=O)c2C2CC(O)CCN12
InChIInChI=1S/C19H16N4O4/c24-10-5-7-22-15(8-10)16-12(17(22)25)2-1-3-14(16)23-18(26)11-4-6-20-9-13(11)21-19(23)27/h1-4,6,9-10,15,24H,5,7-8H2,(H,21,27)
InChIKeyVIVADUSJOIERCK-UHFFFAOYSA-N
MW364.36 g/mol
LogP0.73
Rot. Bonds1

About 3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione

3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 67284316) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID67284316
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione
SMILESO=C1c2cccc(-n3c(=O)[nH]c4cnccc4c3=O)c2C2CC(O)CCN12
InChIInChI=1S/C19H16N4O4/c24-10-5-7-22-15(8-10)16-12(17(22)25)2-1-3-14(16)23-18(26)11-4-6-20-9-13(11)21-19(23)27/h1-4,6,9-10,15,24H,5,7-8H2,(H,21,27)
InChIKeyVIVADUSJOIERCK-UHFFFAOYSA-N
XLogP0.73
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione (CID 67284316) is 3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione is O=C1c2cccc(-n3c(=O)[nH]c4cnccc4c3=O)c2C2CC(O)CCN12.
What is the InChIKey of 3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is VIVADUSJOIERCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c24-10-5-7-22-15(8-10)16-12(17(22)25)2-1-3-14(16)23-18(26)11-4-6-20-9-13(11)21-19(23)27/h1-4,6,9-10,15,24H,5,7-8H2,(H,21,27).
What are the key properties of 3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 364.36 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 67284316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).