[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate

C26H24N4O5 — CID 4882198

IUPAC[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C26H24N4O5/c1-15-18(22(16-9-5-4-6-10-16)17-11-7-8-12-19(17)28-15)13-21(32)35-14-20(31)23-24(27)29(2)26(34)30(3)25(23)33/h4-12H,13-14,27H2,1-3H3
InChIKeyIGZZSVSHAKVNBL-UHFFFAOYSA-N
MW472.50 g/mol
LogP2.16
Rot. Bonds6

About [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate (PubChem CID 4882198) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
PubChem CID4882198
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Name[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
SMILESCc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C26H24N4O5/c1-15-18(22(16-9-5-4-6-10-16)17-11-7-8-12-19(17)28-15)13-21(32)35-14-20(31)23-24(27)29(2)26(34)30(3)25(23)33/h4-12H,13-14,27H2,1-3H3
InChIKeyIGZZSVSHAKVNBL-UHFFFAOYSA-N
XLogP2.16
TPSA126.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate 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

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 29486150
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2115643
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2358734
[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] 2,6-dimethylquinoline-3-carboxylate
CID 55466757
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2473330
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] (3Z)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 98418066
[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-(3,4-dimethoxyphenyl)acetate
CID 3302099
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 2414714
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 4033338

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate?
The IUPAC name of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate (CID 4882198) is [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate.
What is the SMILES notation for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate?
The canonical SMILES for [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate is Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate?
The InChIKey is IGZZSVSHAKVNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-15-18(22(16-9-5-4-6-10-16)17-11-7-8-12-19(17)28-15)13-21(32)35-14-20(31)23-24(27)29(2)26(34)30(3)25(23)33/h4-12H,13-14,27H2,1-3H3.
What are the key properties of [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate?
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate has a molecular weight of 472.50 g/mol, XLogP of 2.16, 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] 2-(2-methyl-4-phenylquinolin-3-yl)acetate is sourced from PubChem (CID 4882198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).