ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate

C25H28N4O3 — CID 46093032

IUPACethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C25H28N4O3/c1-5-32-25(31)22-23(27-21-15-18(4)17(3)14-20(21)26-22)28-10-12-29(13-11-28)24(30)19-9-7-6-8-16(19)2/h6-9,14-15H,5,10-13H2,1-4H3
InChIKeyXDHMJBHCXQDDJR-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.69
Rot. Bonds4

About ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate

ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate (PubChem CID 46093032) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate
PubChem CID46093032
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Nameethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C25H28N4O3/c1-5-32-25(31)22-23(27-21-15-18(4)17(3)14-20(21)26-22)28-10-12-29(13-11-28)24(30)19-9-7-6-8-16(19)2/h6-9,14-15H,5,10-13H2,1-4H3
InChIKeyXDHMJBHCXQDDJR-UHFFFAOYSA-N
XLogP3.69
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate with MolForge

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Related Compounds

ethyl 3-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 46093066
ethyl 6,7-dimethyl-3-[4-(2,3,4,5,6-pentafluorobenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 46093104
ethyl 3-[4-(2-ethoxy-2-oxoacetyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 46092998
ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 46093160
ethyl 6,7-dichloro-3-[4-(2-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
CID 46093613
ethyl 3-[4-(2-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
CID 46093128
ethyl 3-[4-(benzenesulfonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 46093776
ethyl 4-(2-methylbenzoyl)piperazine-1-carboxylate
CID 969363
ethyl 3-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 46093589
ethyl 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886321
ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 46091300
ethyl 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 50764980

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate (CID 46093032) is ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate?
The InChIKey is XDHMJBHCXQDDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-5-32-25(31)22-23(27-21-15-18(4)17(3)14-20(21)26-22)28-10-12-29(13-11-28)24(30)19-9-7-6-8-16(19)2/h6-9,14-15H,5,10-13H2,1-4H3.
What are the key properties of ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate?
ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate is sourced from PubChem (CID 46093032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).