N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide

C21H21F2N5O2 — CID 53070091

IUPACN-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCCn1c(=O)c(N2CCN(C(=O)Nc3cc(F)ccc3F)CC2)nc2ccccc21
InChIInChI=1S/C21H21F2N5O2/c1-2-28-18-6-4-3-5-16(18)24-19(20(28)29)26-9-11-27(12-10-26)21(30)25-17-13-14(22)7-8-15(17)23/h3-8,13H,2,9-12H2,1H3,(H,25,30)
InChIKeyBESJLGAXQJCIBC-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.05
Rot. Bonds3

About N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide

N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide (PubChem CID 53070091) has the molecular formula C21H21F2N5O2 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
PubChem CID53070091
Molecular FormulaC21H21F2N5O2
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC NameN-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCCn1c(=O)c(N2CCN(C(=O)Nc3cc(F)ccc3F)CC2)nc2ccccc21
InChIInChI=1S/C21H21F2N5O2/c1-2-28-18-6-4-3-5-16(18)24-19(20(28)29)26-9-11-27(12-10-26)21(30)25-17-13-14(22)7-8-15(17)23/h3-8,13H,2,9-12H2,1H3,(H,25,30)
InChIKeyBESJLGAXQJCIBC-UHFFFAOYSA-N
XLogP3.05
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070100
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53070095
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
N-benzyl-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070083
1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837441
4-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 53070039
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131511
N-(2,4-dimethylphenyl)-4-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperazine-1-carboxamide
CID 53070136
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375509

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide (CID 53070091) is N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide is CCn1c(=O)c(N2CCN(C(=O)Nc3cc(F)ccc3F)CC2)nc2ccccc21.
What is the InChIKey of N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide?
The InChIKey is BESJLGAXQJCIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O2/c1-2-28-18-6-4-3-5-16(18)24-19(20(28)29)26-9-11-27(12-10-26)21(30)25-17-13-14(22)7-8-15(17)23/h3-8,13H,2,9-12H2,1H3,(H,25,30).
What are the key properties of N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide?
N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53070091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).