6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione

C22H21N5O4 — CID 2474955

IUPAC6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN2CC(=O)Nc3ccccc32)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H21N5O4/c1-25-21(30)19(20(23)27(22(25)31)11-14-7-3-2-4-8-14)17(28)12-26-13-18(29)24-15-9-5-6-10-16(15)26/h2-10H,11-13,23H2,1H3,(H,24,29)
InChIKeyIFLWKBPHVYDQRJ-UHFFFAOYSA-N
MW419.44 g/mol
LogP0.82
Rot. Bonds5

About 6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione

6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione (PubChem CID 2474955) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione
PubChem CID2474955
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN2CC(=O)Nc3ccccc32)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H21N5O4/c1-25-21(30)19(20(23)27(22(25)31)11-14-7-3-2-4-8-14)17(28)12-26-13-18(29)24-15-9-5-6-10-16(15)26/h2-10H,11-13,23H2,1H3,(H,24,29)
InChIKeyIFLWKBPHVYDQRJ-UHFFFAOYSA-N
XLogP0.82
TPSA119.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-benzyl-5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
CID 2088446
6-amino-1-benzyl-5-[2-(dimethylamino)acetyl]-3-methylpyrimidine-2,4-dione
CID 2568067
6-amino-1-benzyl-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methylpyrimidine-2,4-dione
CID 5156725
6-amino-1-benzyl-3-methyl-5-[2-(N-methylanilino)acetyl]pyrimidine-2,4-dione
CID 2685169
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl] cyclopropanecarboxylate
CID 5014367
3-[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2689879
6-amino-1-benzyl-5-[2-[cycloheptyl(methyl)amino]acetyl]-3-methylpyrimidine-2,4-dione
CID 16577799
6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
CID 4316106
4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 28822188
4-[2-(2-methylphenyl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
CID 62051768
6-amino-1-benzyl-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-3-methylpyrimidine-2,4-dione
CID 4793867

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione (CID 2474955) is 6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione is Cn1c(=O)c(C(=O)CN2CC(=O)Nc3ccccc32)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione?
The InChIKey is IFLWKBPHVYDQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-25-21(30)19(20(23)27(22(25)31)11-14-7-3-2-4-8-14)17(28)12-26-13-18(29)24-15-9-5-6-10-16(15)26/h2-10H,11-13,23H2,1H3,(H,24,29).
What are the key properties of 6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione?
6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione has a molecular weight of 419.44 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-3-methyl-5-[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2474955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).