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

C19H16N4O3 — CID 46909407

IUPAC3-(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)c2C2CCCCN12
InChIInChI=1S/C19H16N4O3/c24-17-12-4-3-6-15(16(12)14-5-1-2-9-22(14)17)23-18(25)11-7-8-20-10-13(11)21-19(23)26/h3-4,6-8,10,14H,1-2,5,9H2,(H,21,26)
InChIKeyCSFNHIIKPGCNFE-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.75
Rot. Bonds1

About 3-(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-(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 46909407) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(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-(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 CID46909407
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-(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)c2C2CCCCN12
InChIInChI=1S/C19H16N4O3/c24-17-12-4-3-6-15(16(12)14-5-1-2-9-22(14)17)23-18(25)11-7-8-20-10-13(11)21-19(23)26/h3-4,6-8,10,14H,1-2,5,9H2,(H,21,26)
InChIKeyCSFNHIIKPGCNFE-UHFFFAOYSA-N
XLogP1.75
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(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-(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-(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 46909407) is 3-(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-(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-(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)c2C2CCCCN12.
What is the InChIKey of 3-(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 CSFNHIIKPGCNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-17-12-4-3-6-15(16(12)14-5-1-2-9-22(14)17)23-18(25)11-7-8-20-10-13(11)21-19(23)26/h3-4,6-8,10,14H,1-2,5,9H2,(H,21,26).
What are the key properties of 3-(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-(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 348.36 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(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 46909407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).