ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate

C20H24Cl2N4O3 — CID 92762178

IUPACethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)[C@@H](C)CC)CC1
InChIInChI=1S/C20H24Cl2N4O3/c1-4-12(3)19(27)26-8-6-25(7-9-26)18-17(20(28)29-5-2)23-15-10-13(21)14(22)11-16(15)24-18/h10-12H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyRQUYDPFVPGANGH-LBPRGKRZSA-N
MW439.34 g/mol
LogP3.81
Rot. Bonds5

About ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate

ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate (PubChem CID 92762178) has the molecular formula C20H24Cl2N4O3 and a molecular weight of 439.34 g/mol. Its IUPAC name is ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate
PubChem CID92762178
Molecular FormulaC20H24Cl2N4O3
Molecular Weight439.34 g/mol
Exact Mass438.12
IUPAC Nameethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)[C@@H](C)CC)CC1
InChIInChI=1S/C20H24Cl2N4O3/c1-4-12(3)19(27)26-8-6-25(7-9-26)18-17(20(28)29-5-2)23-15-10-13(21)14(22)11-16(15)24-18/h10-12H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyRQUYDPFVPGANGH-LBPRGKRZSA-N
XLogP3.81
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate 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

ethyl 3-[4-[(2S)-2-acetyloxypropanoyl]-1,4-diazepan-1-yl]-6,7-dichloroquinoxaline-2-carboxylate
CID 46093191
ethyl 6,7-dichloro-3-[4-(3-methylbut-2-enoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
CID 46093173
ethyl 3-[4-(2-acetyloxy-2-methylpropanoyl)-1,4-diazepan-1-yl]-6,7-dichloroquinoxaline-2-carboxylate
CID 46093188
ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 46091300
ethyl 6,7-dichloro-3-[4-(2-phenoxyacetyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 46093093
ethyl 3-[4-[(2R)-2-chloropropanoyl]-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
CID 92760525
ethyl 6,7-dichloro-3-[4-(2-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
CID 46093613
ethyl 3-[4-(2-ethoxy-2-oxoacetyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 46092998
ethyl 6,7-dimethyl-3-[4-(2,3,4,5,6-pentafluorobenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 46093104
ethyl 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886321
ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 46093032
ethyl 3-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 46093066

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate (CID 92762178) is ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)[C@@H](C)CC)CC1.
What is the InChIKey of ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate?
The InChIKey is RQUYDPFVPGANGH-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H24Cl2N4O3/c1-4-12(3)19(27)26-8-6-25(7-9-26)18-17(20(28)29-5-2)23-15-10-13(21)14(22)11-16(15)24-18/h10-12H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate?
ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate has a molecular weight of 439.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate is sourced from PubChem (CID 92762178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).