3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one

C23H26N4O2 — CID 46295476

IUPAC3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
SMILESCc1cccc(N2CCN(C(=O)Cn3c(=O)c(C)nc4ccccc43)CC2C)c1
InChIInChI=1S/C23H26N4O2/c1-16-7-6-8-19(13-16)26-12-11-25(14-17(26)2)22(28)15-27-21-10-5-4-9-20(21)24-18(3)23(27)29/h4-10,13,17H,11-12,14-15H2,1-3H3
InChIKeyQAEKCIBTXDCHAH-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.75
Rot. Bonds3

About 3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one

3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one (PubChem CID 46295476) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
PubChem CID46295476
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
SMILESCc1cccc(N2CCN(C(=O)Cn3c(=O)c(C)nc4ccccc43)CC2C)c1
InChIInChI=1S/C23H26N4O2/c1-16-7-6-8-19(13-16)26-12-11-25(14-17(26)2)22(28)15-27-21-10-5-4-9-20(21)24-18(3)23(27)29/h4-10,13,17H,11-12,14-15H2,1-3H3
InChIKeyQAEKCIBTXDCHAH-UHFFFAOYSA-N
XLogP2.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
CID 92752267
1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-prop-2-enylquinoxaline-2,3-dione
CID 50802548
3-methyl-5-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazino[4,5-b]indol-4-one
CID 95059152
1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one
CID 46364973
1-methyl-3-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30442443
2-(2-methylbenzimidazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51287699
1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one
CID 20851364
(1R,2R,6S,7R)-4-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98228796
1-[2-(8-methoxy-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]-3-methylquinoxalin-2-one
CID 156604643
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069407
5,6-dimethyl-3-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]furo[2,3-d]pyrimidin-4-one
CID 53024087
3-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5H-pyridazino[4,5-b]indol-4-one
CID 136914669

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The IUPAC name of 3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one (CID 46295476) is 3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one.
What is the SMILES notation for 3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The canonical SMILES for 3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one is Cc1cccc(N2CCN(C(=O)Cn3c(=O)c(C)nc4ccccc43)CC2C)c1.
What is the InChIKey of 3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The InChIKey is QAEKCIBTXDCHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-7-6-8-19(13-16)26-12-11-25(14-17(26)2)22(28)15-27-21-10-5-4-9-20(21)24-18(3)23(27)29/h4-10,13,17H,11-12,14-15H2,1-3H3.
What are the key properties of 3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one?
3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one has a molecular weight of 390.49 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one is sourced from PubChem (CID 46295476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).