1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione

C11H15N3O2 — CID 130423795

IUPAC1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)CN1CCCCC1C2
InChIInChI=1S/C11H15N3O2/c15-10-8-6-14-4-2-1-3-7(14)5-9(8)12-11(16)13-10/h7H,1-6H2,(H2,12,13,15,16)
InChIKeyJODFLSXOKJKZIA-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.03
Rot. Bonds

About 1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione

1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione (PubChem CID 130423795) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione.

Molecular Properties

Compound Name1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione
PubChem CID130423795
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)[nH]1)CN1CCCCC1C2
InChIInChI=1S/C11H15N3O2/c15-10-8-6-14-4-2-1-3-7(14)5-9(8)12-11(16)13-10/h7H,1-6H2,(H2,12,13,15,16)
InChIKeyJODFLSXOKJKZIA-UHFFFAOYSA-N
XLogP-0.03
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione?
The IUPAC name of 1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione (CID 130423795) is 1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione.
What is the SMILES notation for 1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione?
The canonical SMILES for 1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione is O=c1[nH]c2c(c(=O)[nH]1)CN1CCCCC1C2.
What is the InChIKey of 1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione?
The InChIKey is JODFLSXOKJKZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10-8-6-14-4-2-1-3-7(14)5-9(8)12-11(16)13-10/h7H,1-6H2,(H2,12,13,15,16).
What are the key properties of 1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione?
1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione has a molecular weight of 221.26 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7,8,9,10,10a,11-octahydropyrimido[4,5-b]quinolizine-2,4-dione is sourced from PubChem (CID 130423795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).