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

C20H18N4O3 — CID 70853831

IUPAC3-(2-methyl-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione
SMILESCC1CCN2C(=O)c3cccc(-n4c(=O)[nH]c5cnccc5c4=O)c3C2C1
InChIInChI=1S/C20H18N4O3/c1-11-6-8-23-16(9-11)17-13(18(23)25)3-2-4-15(17)24-19(26)12-5-7-21-10-14(12)22-20(24)27/h2-5,7,10-11,16H,6,8-9H2,1H3,(H,22,27)
InChIKeyJIGLPNPHAGIYJE-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.00
Rot. Bonds1

About 3-(2-methyl-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-methyl-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 70853831) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-(2-methyl-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-methyl-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 CID70853831
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-(2-methyl-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione
SMILESCC1CCN2C(=O)c3cccc(-n4c(=O)[nH]c5cnccc5c4=O)c3C2C1
InChIInChI=1S/C20H18N4O3/c1-11-6-8-23-16(9-11)17-13(18(23)25)3-2-4-15(17)24-19(26)12-5-7-21-10-14(12)22-20(24)27/h2-5,7,10-11,16H,6,8-9H2,1H3,(H,22,27)
InChIKeyJIGLPNPHAGIYJE-UHFFFAOYSA-N
XLogP2.00
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-methyl-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-methyl-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-methyl-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 70853831) is 3-(2-methyl-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-methyl-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-methyl-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 CC1CCN2C(=O)c3cccc(-n4c(=O)[nH]c5cnccc5c4=O)c3C2C1.
What is the InChIKey of 3-(2-methyl-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 JIGLPNPHAGIYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-11-6-8-23-16(9-11)17-13(18(23)25)3-2-4-15(17)24-19(26)12-5-7-21-10-14(12)22-20(24)27/h2-5,7,10-11,16H,6,8-9H2,1H3,(H,22,27).
What are the key properties of 3-(2-methyl-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-methyl-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 362.39 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-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 70853831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).