1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one

C22H24N4O2 — CID 46364973

IUPAC1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3nc4ccccc4n(C)c3=O)CC2C)c1
InChIInChI=1S/C22H24N4O2/c1-15-7-6-8-17(13-15)26-12-11-25(14-16(26)2)22(28)20-21(27)24(3)19-10-5-4-9-18(19)23-20/h4-10,13,16H,11-12,14H2,1-3H3
InChIKeyUTEKGDKTXFVQGE-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.59
Rot. Bonds2

About 1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one

1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one (PubChem CID 46364973) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one
PubChem CID46364973
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3nc4ccccc4n(C)c3=O)CC2C)c1
InChIInChI=1S/C22H24N4O2/c1-15-7-6-8-17(13-15)26-12-11-25(14-16(26)2)22(28)20-21(27)24(3)19-10-5-4-9-18(19)23-20/h4-10,13,16H,11-12,14H2,1-3H3
InChIKeyUTEKGDKTXFVQGE-UHFFFAOYSA-N
XLogP2.59
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[4-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30442443
3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 46295476
2-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1,2,4-triazine-3,5-dione
CID 95074830
1-methyl-3-(4-phenylpiperazine-1-carbonyl)quinoxalin-2-one
CID 46365024
1-ethyl-4-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
CID 92752267
3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 3796874
3-methyl-5-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazino[4,5-b]indol-4-one
CID 95059152
3-(4-cyclohexylpiperazine-1-carbonyl)-1-methylquinoxalin-2-one
CID 46364975
1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-prop-2-enylquinoxaline-2,3-dione
CID 50802548
(1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazol-3-yl)-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 92711839
(3-bromophenyl)-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2579914
[2,3-bis(furan-2-yl)quinoxalin-6-yl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 3420548

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one?
The IUPAC name of 1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one (CID 46364973) is 1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one is Cc1cccc(N2CCN(C(=O)c3nc4ccccc4n(C)c3=O)CC2C)c1.
What is the InChIKey of 1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one?
The InChIKey is UTEKGDKTXFVQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-7-6-8-17(13-15)26-12-11-25(14-16(26)2)22(28)20-21(27)24(3)19-10-5-4-9-18(19)23-20/h4-10,13,16H,11-12,14H2,1-3H3.
What are the key properties of 1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one?
1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one has a molecular weight of 376.46 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxalin-2-one is sourced from PubChem (CID 46364973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).