[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate

C20H20N4O5 — CID 29486150

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate
SMILESCn1c(N)c(C(=O)COC(=O)CCc2ccc3ccccc3n2)c(=O)n(C)c1=O
InChIInChI=1S/C20H20N4O5/c1-23-18(21)17(19(27)24(2)20(23)28)15(25)11-29-16(26)10-9-13-8-7-12-5-3-4-6-14(12)22-13/h3-8H,9-11,21H2,1-2H3
InChIKeyNWXGCHOJFFWSOT-UHFFFAOYSA-N
MW396.40 g/mol
LogP0.57
Rot. Bonds6

About [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate (PubChem CID 29486150) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate
PubChem CID29486150
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate
SMILESCn1c(N)c(C(=O)COC(=O)CCc2ccc3ccccc3n2)c(=O)n(C)c1=O
InChIInChI=1S/C20H20N4O5/c1-23-18(21)17(19(27)24(2)20(23)28)15(25)11-29-16(26)10-9-13-8-7-12-5-3-4-6-14(12)22-13/h3-8H,9-11,21H2,1-2H3
InChIKeyNWXGCHOJFFWSOT-UHFFFAOYSA-N
XLogP0.57
TPSA126.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate with MolForge

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Related Compounds

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 35989456
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 2414714
[2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate
CID 55367871
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 16503059
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 4882198
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2473330
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate
CID 29486304
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42980604
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486260
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2115643
6-amino-1,3-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrimidine-2,4-dione
CID 3922487
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2,6-dimethylquinoline-3-carboxylate
CID 55466757

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate (CID 29486150) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate is Cn1c(N)c(C(=O)COC(=O)CCc2ccc3ccccc3n2)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The InChIKey is NWXGCHOJFFWSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-23-18(21)17(19(27)24(2)20(23)28)15(25)11-29-16(26)10-9-13-8-7-12-5-3-4-6-14(12)22-13/h3-8H,9-11,21H2,1-2H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate has a molecular weight of 396.40 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate is sourced from PubChem (CID 29486150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).