(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

C19H16Cl2N4O — CID 108741335

IUPAC(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C19H16Cl2N4O/c20-13-5-6-15(21)14(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
InChIKeyXFWVCANILZTKHT-UHFFFAOYSA-N
MW387.27 g/mol
LogP3.90
Rot. Bonds2

About (2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone (PubChem CID 108741335) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
PubChem CID108741335
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C19H16Cl2N4O/c20-13-5-6-15(21)14(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
InChIKeyXFWVCANILZTKHT-UHFFFAOYSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741472
(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741394
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 134100572
(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741343
(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741382
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline
CID 33370889
(5-chloro-2-fluorophenyl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56527948
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47087134

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone (CID 108741335) is (2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(Cl)ccc1Cl)N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of (2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XFWVCANILZTKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c20-13-5-6-15(21)14(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 (2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone has a molecular weight of 387.27 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 108741335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).