4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide

C21H22FN5O2 — CID 53070095

IUPAC4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCCn1c(=O)c(N2CCN(C(=O)Nc3ccccc3F)CC2)nc2ccccc21
InChIInChI=1S/C21H22FN5O2/c1-2-27-18-10-6-5-9-17(18)23-19(20(27)28)25-11-13-26(14-12-25)21(29)24-16-8-4-3-7-15(16)22/h3-10H,2,11-14H2,1H3,(H,24,29)
InChIKeyZDYKEXYTNLXDSO-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.91
Rot. Bonds3

About 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide

4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 53070095) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID53070095
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCCn1c(=O)c(N2CCN(C(=O)Nc3ccccc3F)CC2)nc2ccccc21
InChIInChI=1S/C21H22FN5O2/c1-2-27-18-10-6-5-9-17(18)23-19(20(27)28)25-11-13-26(14-12-25)21(29)24-16-8-4-3-7-15(16)22/h3-10H,2,11-14H2,1H3,(H,24,29)
InChIKeyZDYKEXYTNLXDSO-UHFFFAOYSA-N
XLogP2.91
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062
N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070083
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837441
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338
4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 83277226
1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837561
N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide
CID 53070136

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide (CID 53070095) is 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide is CCn1c(=O)c(N2CCN(C(=O)Nc3ccccc3F)CC2)nc2ccccc21.
What is the InChIKey of 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is ZDYKEXYTNLXDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-2-27-18-10-6-5-9-17(18)23-19(20(27)28)25-11-13-26(14-12-25)21(29)24-16-8-4-3-7-15(16)22/h3-10H,2,11-14H2,1H3,(H,24,29).
What are the key properties of 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 53070095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).