7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide

C46H55BrF2N12O4 — CID 163531631

IUPAC7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCCc1nc2ccc(CBr)c(F)c2[nH]c1=O.CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(F)c2[nH]c1=O.CNC(=O)c1ccc(N2CCNCC2)c(C)n1
InChIInChI=1S/C23H27FN6O2.C12H18N4O.C11H10BrFN2O/c1-4-16-23(32)28-21-17(27-16)6-5-15(20(21)24)13-29-9-11-30(12-10-29)19-8-7-18(22(31)25-3)26-14(19)2;1-9-11(16-7-5-14-6-8-16)4-3-10(15-9)12(17)13-2;1-2-7-11(16)15-10-8(14-7)4-3-6(5-12)9(10)13/h5-8H,4,9-13H2,1-3H3,(H,25,31)(H,28,32);3-4,14H,5-8H2,1-2H3,(H,13,17);3-4H,2,5H2,1H3,(H,15,16)
InChIKeyDTMOZAFQXRJTAP-UHFFFAOYSA-N
MW957.93 g/mol
LogP4.69
Rot. Bonds9

About 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide

7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 163531631) has the molecular formula C46H55BrF2N12O4 and a molecular weight of 957.93 g/mol. Its IUPAC name is 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID163531631
Molecular FormulaC46H55BrF2N12O4
Molecular Weight957.93 g/mol
Exact Mass956.36
IUPAC Name7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
SMILESCCc1nc2ccc(CBr)c(F)c2[nH]c1=O.CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(F)c2[nH]c1=O.CNC(=O)c1ccc(N2CCNCC2)c(C)n1
InChIInChI=1S/C23H27FN6O2.C12H18N4O.C11H10BrFN2O/c1-4-16-23(32)28-21-17(27-16)6-5-15(20(21)24)13-29-9-11-30(12-10-29)19-8-7-18(22(31)25-3)26-14(19)2;1-9-11(16-7-5-14-6-8-16)4-3-10(15-9)12(17)13-2;1-2-7-11(16)15-10-8(14-7)4-3-6(5-12)9(10)13/h5-8H,4,9-13H2,1-3H3,(H,25,31)(H,28,32);3-4,14H,5-8H2,1-2H3,(H,13,17);3-4H,2,5H2,1H3,(H,15,16)
InChIKeyDTMOZAFQXRJTAP-UHFFFAOYSA-N
XLogP4.69
TPSA197.23 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.93
LogP ≤ 54.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Azd9574
CID 162524593
2,3-bis(4-fluorophenyl)-N-[2-(4-methylpiperazino)ethyl]quinoxaline-6-carboxamide
CID 22588034
2,3-diethyl-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]quinoxaline-6-carboxamide
CID 16274458
2,3-diethyl-N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}quinoxaline-6-carboxamide
CID 22588081
2,3-diethyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}quinoxaline-6-carboxamide
CID 22588078
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N,2,3-triethylquinoxaline-6-carboxamide
CID 25162581
6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169110545
5-[4-[(2-ethyl-8-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169110636
N-cyclopropyl-6-fluoro-5-[4-[(8-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169110693
2,3-diethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylquinoxaline-6-carboxamide
CID 25163616
2,3-Bis(4-fluorophenyl)-N-[2-(piperidin-1-YL)ethyl]quinoxaline-6-carboxamide
CID 20887336
US20250082630, Example 21
CID 162524421

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide (CID 163531631) is 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is CCc1nc2ccc(CBr)c(F)c2[nH]c1=O.CCc1nc2ccc(CN3CCN(c4ccc(C(=O)NC)nc4C)CC3)c(F)c2[nH]c1=O.CNC(=O)c1ccc(N2CCNCC2)c(C)n1.
What is the InChIKey of 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is DTMOZAFQXRJTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2.C12H18N4O.C11H10BrFN2O/c1-4-16-23(32)28-21-17(27-16)6-5-15(20(21)24)13-29-9-11-30(12-10-29)19-8-7-18(22(31)25-3)26-14(19)2;1-9-11(16-7-5-14-6-8-16)4-3-10(15-9)12(17)13-2;1-2-7-11(16)15-10-8(14-7)4-3-6(5-12)9(10)13/h5-8H,4,9-13H2,1-3H3,(H,25,31)(H,28,32);3-4,14H,5-8H2,1-2H3,(H,13,17);3-4H,2,5H2,1H3,(H,15,16).
What are the key properties of 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide?
7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 957.93 g/mol, XLogP of 4.69, 9 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinoxalin-2-one;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide;5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 163531631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).