10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione

C19H14N4O4 — CID 67283841

IUPAC10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione
SMILESO=C1CCN2C(=O)c3cccc(-n4c(=O)[nH]c5cnccc5c4=O)c3C2C1
InChIInChI=1S/C19H14N4O4/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/h1-4,6,9,15H,5,7-8H2,(H,21,27)
InChIKeyJXBBQILAQMYHKR-UHFFFAOYSA-N
MW362.35 g/mol
LogP0.93
Rot. Bonds1

About 10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione

10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione (PubChem CID 67283841) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione.

Molecular Properties

Compound Name10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione
PubChem CID67283841
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione
SMILESO=C1CCN2C(=O)c3cccc(-n4c(=O)[nH]c5cnccc5c4=O)c3C2C1
InChIInChI=1S/C19H14N4O4/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/h1-4,6,9,15H,5,7-8H2,(H,21,27)
InChIKeyJXBBQILAQMYHKR-UHFFFAOYSA-N
XLogP0.93
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione?
The IUPAC name of 10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione (CID 67283841) is 10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione.
What is the SMILES notation for 10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione?
The canonical SMILES for 10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione is O=C1CCN2C(=O)c3cccc(-n4c(=O)[nH]c5cnccc5c4=O)c3C2C1.
What is the InChIKey of 10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione?
The InChIKey is JXBBQILAQMYHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/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/h1-4,6,9,15H,5,7-8H2,(H,21,27).
What are the key properties of 10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione?
10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione has a molecular weight of 362.35 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione is sourced from PubChem (CID 67283841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).