(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

C19H16F2N4O — CID 108741472

IUPAC(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C19H16F2N4O/c20-13-5-6-14(15(21)11-13)19(26)25-9-7-24(8-10-25)18-12-22-16-3-1-2-4-17(16)23-18/h1-6,11-12H,7-10H2
InChIKeyFLGDZFWMMGVJJR-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.87
Rot. Bonds2

About (2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone (PubChem CID 108741472) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
PubChem CID108741472
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C19H16F2N4O/c20-13-5-6-14(15(21)11-13)19(26)25-9-7-24(8-10-25)18-12-22-16-3-1-2-4-17(16)23-18/h1-6,11-12H,7-10H2
InChIKeyFLGDZFWMMGVJJR-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741335
(2,4-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559977
(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4838574
(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741394
(2,4-difluorophenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700346
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741382
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322
[4-(6,7-difluoroquinoxalin-2-yl)-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 163419343
(2,4-difluorophenyl)-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702485
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone (CID 108741472) is (2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(F)cc1F)N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of (2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FLGDZFWMMGVJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-13-5-6-14(15(21)11-13)19(26)25-9-7-24(8-10-25)18-12-22-16-3-1-2-4-17(16)23-18/h1-6,11-12H,7-10H2.
What are the key properties of (2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone has a molecular weight of 354.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 108741472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).