(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

C19H16ClFN4O — CID 108741394

IUPAC(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C19H16ClFN4O/c20-13-4-3-5-14(21)18(13)19(26)25-10-8-24(9-11-25)17-12-22-15-6-1-2-7-16(15)23-17/h1-7,12H,8-11H2
InChIKeyMODCUEJQNWGQFP-UHFFFAOYSA-N
MW370.82 g/mol
LogP3.38
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone

(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone (PubChem CID 108741394) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
PubChem CID108741394
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C19H16ClFN4O/c20-13-4-3-5-14(21)18(13)19(26)25-10-8-24(9-11-25)17-12-22-15-6-1-2-7-16(15)23-17/h1-7,12H,8-11H2
InChIKeyMODCUEJQNWGQFP-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741343
(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741335
(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707486
(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741472
(2-chloro-6-fluorophenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108731836
(2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079758
2-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397204
(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322
(2-chloro-6-fluorophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 113075723
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 43982501
(2-chloro-6-fluorophenyl)-[4-(4-ethylphenyl)piperazin-1-yl]methanone
CID 113075915
(2-chloro-6-fluorophenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 56919528

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone (CID 108741394) is (2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone is O=C(c1c(F)cccc1Cl)N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MODCUEJQNWGQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c20-13-4-3-5-14(21)18(13)19(26)25-10-8-24(9-11-25)17-12-22-15-6-1-2-7-16(15)23-17/h1-7,12H,8-11H2.
What are the key properties of (2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone?
(2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone has a molecular weight of 370.82 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 108741394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).