methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate

C19H21N3O4 — CID 156582008

IUPACmethyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate
SMILESCOC(=O)CC[C@H]1C(=O)N/C(=C\C(C)C)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C19H21N3O4/c1-11(2)10-14-17-20-13-7-5-4-6-12(13)19(25)22(17)15(18(24)21-14)8-9-16(23)26-3/h4-7,10-11,15H,8-9H2,1-3H3,(H,21,24)/b14-10-/t15-/m0/s1
InChIKeyWDLPIOMVJYAOJS-LTBFUDJGSA-N
MW355.39 g/mol
LogP2.02
Rot. Bonds4

About methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate

methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate (PubChem CID 156582008) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate
PubChem CID156582008
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namemethyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate
SMILESCOC(=O)CC[C@H]1C(=O)N/C(=C\C(C)C)c2nc3ccccc3c(=O)n21
InChIInChI=1S/C19H21N3O4/c1-11(2)10-14-17-20-13-7-5-4-6-12(13)19(25)22(17)15(18(24)21-14)8-9-16(23)26-3/h4-7,10-11,15H,8-9H2,1-3H3,(H,21,24)/b14-10-/t15-/m0/s1
InChIKeyWDLPIOMVJYAOJS-LTBFUDJGSA-N
XLogP2.02
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 162978378
(1E,4R)-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 98051173
(1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 133053839
methyl 3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)propanoate
CID 9066303
methyl 3-[2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 7644775
methyl 8-[4-(2-methyl-4-oxoquinazolin-3-yl)butanoylamino]octanoate
CID 71851736
methyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetate
CID 21004517
methyl 3-[2-(chloromethyl)-4-oxoquinazolin-3-yl]propanoate
CID 61295376
methyl 4-[4-oxo-2-[(1S)-1-(2-phenylethylamino)ethyl]quinazolin-3-yl]butanoate
CID 7201872
(2-methoxy-2-oxoethyl) 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate
CID 43050906
1-O-ethyl 7-O-methyl (2E)-2-(4-oxo-2-propan-2-ylquinazolin-3-yl)iminoheptanedioate
CID 10023991
methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580760

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate?
The IUPAC name of methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate (CID 156582008) is methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate.
What is the SMILES notation for methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate?
The canonical SMILES for methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate is COC(=O)CC[C@H]1C(=O)N/C(=C\C(C)C)c2nc3ccccc3c(=O)n21.
What is the InChIKey of methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate?
The InChIKey is WDLPIOMVJYAOJS-LTBFUDJGSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11(2)10-14-17-20-13-7-5-4-6-12(13)19(25)22(17)15(18(24)21-14)8-9-16(23)26-3/h4-7,10-11,15H,8-9H2,1-3H3,(H,21,24)/b14-10-/t15-/m0/s1.
What are the key properties of methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate?
methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate has a molecular weight of 355.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1Z,4S)-1-(2-methylpropylidene)-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-4-yl]propanoate is sourced from PubChem (CID 156582008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).