methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate

C23H25N5O4 — CID 53070062

IUPACmethyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
SMILESCCn1c(=O)c(N2CCN(C(=O)Nc3ccccc3C(=O)OC)CC2)nc2ccccc21
InChIInChI=1S/C23H25N5O4/c1-3-28-19-11-7-6-10-18(19)24-20(21(28)29)26-12-14-27(15-13-26)23(31)25-17-9-5-4-8-16(17)22(30)32-2/h4-11H,3,12-15H2,1-2H3,(H,25,31)
InChIKeyYJSATISEUMUAEA-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.56
Rot. Bonds4

About methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate

methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate (PubChem CID 53070062) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
PubChem CID53070062
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Namemethyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
SMILESCCn1c(=O)c(N2CCN(C(=O)Nc3ccccc3C(=O)OC)CC2)nc2ccccc21
InChIInChI=1S/C23H25N5O4/c1-3-28-19-11-7-6-10-18(19)24-20(21(28)29)26-12-14-27(15-13-26)23(31)25-17-9-5-4-8-16(17)22(30)32-2/h4-11H,3,12-15H2,1-2H3,(H,25,31)
InChIKeyYJSATISEUMUAEA-UHFFFAOYSA-N
XLogP2.56
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate 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

4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53070095
methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate
CID 53019970
N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070091
N-(2,4-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070100
N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070083
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941
methyl 2-[[4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carbonyl]amino]benzoate
CID 50805289
methyl 2-[[4-(4-ethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113112107
N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273552
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate (CID 53070062) is methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate is CCn1c(=O)c(N2CCN(C(=O)Nc3ccccc3C(=O)OC)CC2)nc2ccccc21.
What is the InChIKey of methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate?
The InChIKey is YJSATISEUMUAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-3-28-19-11-7-6-10-18(19)24-20(21(28)29)26-12-14-27(15-13-26)23(31)25-17-9-5-4-8-16(17)22(30)32-2/h4-11H,3,12-15H2,1-2H3,(H,25,31).
What are the key properties of methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate?
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate has a molecular weight of 435.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 53070062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).