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

C18H21N3O2 — CID 98051173

IUPAC(1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
SMILESCC(C)/C=C1/NC(=O)[C@@H](C(C)C)n2c1nc1ccccc1c2=O
InChIInChI=1S/C18H21N3O2/c1-10(2)9-14-16-19-13-8-6-5-7-12(13)18(23)21(16)15(11(3)4)17(22)20-14/h5-11,15H,1-4H3,(H,20,22)/b14-9+/t15-/m1/s1
InChIKeyRBFIISQAYNLQQY-AAWPKVBNSA-N
MW311.39 g/mol
LogP2.72
Rot. Bonds2

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

(1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione (PubChem CID 98051173) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione.

Molecular Properties

Compound Name(1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
PubChem CID98051173
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
SMILESCC(C)/C=C1/NC(=O)[C@@H](C(C)C)n2c1nc1ccccc1c2=O
InChIInChI=1S/C18H21N3O2/c1-10(2)9-14-16-19-13-8-6-5-7-12(13)18(23)21(16)15(11(3)4)17(22)20-14/h5-11,15H,1-4H3,(H,20,22)/b14-9+/t15-/m1/s1
InChIKeyRBFIISQAYNLQQY-AAWPKVBNSA-N
XLogP2.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione with MolForge

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Related Compounds

(4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 162978378
(1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 133053839
methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate
CID 156582008
(1S,4S)-1-[(4-methylphenyl)methyl]-4-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 23249759
(4S)-2-benzyl-4-propan-2-yl-1,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
CID 10991635
(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 122390271
6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
CID 135453196
3-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-propan-2-ylquinazolin-4-one
CID 86167686
(3R)-3-methyl-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 11367672
(1S)-2-benzyl-4,4-dimethyl-1-propan-2-yl-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 101162946
(3R)-1-benzyl-3-(2-methylpropyl)-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 134840755
(1R)-1-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione
CID 71497850

Frequently Asked Questions

What is the IUPAC name of (1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione?
The IUPAC name of (1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione (CID 98051173) is (1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione.
What is the SMILES notation for (1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione?
The canonical SMILES for (1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione is CC(C)/C=C1/NC(=O)[C@@H](C(C)C)n2c1nc1ccccc1c2=O.
What is the InChIKey of (1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione?
The InChIKey is RBFIISQAYNLQQY-AAWPKVBNSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-10(2)9-14-16-19-13-8-6-5-7-12(13)18(23)21(16)15(11(3)4)17(22)20-14/h5-11,15H,1-4H3,(H,20,22)/b14-9+/t15-/m1/s1.
What are the key properties of (1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione?
(1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione has a molecular weight of 311.39 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione is sourced from PubChem (CID 98051173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).