1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione

C15H17N3O2 — CID 156641715

IUPAC1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
SMILESCC(C)CC1NC(=O)Cn2c1nc1ccccc1c2=O
InChIInChI=1S/C15H17N3O2/c1-9(2)7-12-14-17-11-6-4-3-5-10(11)15(20)18(14)8-13(19)16-12/h3-6,9,12H,7-8H2,1-2H3,(H,16,19)
InChIKeyVHVKGSWAPABRCF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.61
Rot. Bonds2

About 1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione

1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione (PubChem CID 156641715) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
PubChem CID156641715
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
SMILESCC(C)CC1NC(=O)Cn2c1nc1ccccc1c2=O
InChIInChI=1S/C15H17N3O2/c1-9(2)7-12-14-17-11-6-4-3-5-10(11)15(20)18(14)8-13(19)16-12/h3-6,9,12H,7-8H2,1-2H3,(H,16,19)
InChIKeyVHVKGSWAPABRCF-UHFFFAOYSA-N
XLogP1.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
The IUPAC name of 1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione (CID 156641715) is 1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione.
What is the SMILES notation for 1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
The canonical SMILES for 1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione is CC(C)CC1NC(=O)Cn2c1nc1ccccc1c2=O.
What is the InChIKey of 1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
The InChIKey is VHVKGSWAPABRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9(2)7-12-14-17-11-6-4-3-5-10(11)15(20)18(14)8-13(19)16-12/h3-6,9,12H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione?
1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione has a molecular weight of 271.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione is sourced from PubChem (CID 156641715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).