(1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione

C18H21N3O3 — CID 133053839

IUPAC(1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
SMILESCC(C)/C=C1/NC(=O)C(C(C)C)n2c1nc1c(O)cccc1c2=O
InChIInChI=1S/C18H21N3O3/c1-9(2)8-12-16-20-14-11(6-5-7-13(14)22)18(24)21(16)15(10(3)4)17(23)19-12/h5-10,15,22H,1-4H3,(H,19,23)/b12-8+
InChIKeyUVGDCLGJXMBOBD-XYOKQWHBSA-N
MW327.38 g/mol
LogP2.43
Rot. Bonds2

About (1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione

(1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione (PubChem CID 133053839) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name(1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
PubChem CID133053839
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
SMILESCC(C)/C=C1/NC(=O)C(C(C)C)n2c1nc1c(O)cccc1c2=O
InChIInChI=1S/C18H21N3O3/c1-9(2)8-12-16-20-14-11(6-5-7-13(14)22)18(24)21(16)15(10(3)4)17(23)19-12/h5-10,15,22H,1-4H3,(H,19,23)/b12-8+
InChIKeyUVGDCLGJXMBOBD-XYOKQWHBSA-N
XLogP2.43
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione?
The IUPAC name of (1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione (CID 133053839) is (1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione.
What is the SMILES notation for (1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione?
The canonical SMILES for (1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione is CC(C)/C=C1/NC(=O)C(C(C)C)n2c1nc1c(O)cccc1c2=O.
What is the InChIKey of (1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione?
The InChIKey is UVGDCLGJXMBOBD-XYOKQWHBSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-9(2)8-12-16-20-14-11(6-5-7-13(14)22)18(24)21(16)15(10(3)4)17(23)19-12/h5-10,15,22H,1-4H3,(H,19,23)/b12-8+.
What are the key properties of (1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione?
(1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione has a molecular weight of 327.38 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione is sourced from PubChem (CID 133053839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).