1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone

C32H28FN5O — CID 147736533

IUPAC1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)c1ccccc1F
InChIInChI=1S/C32H28FN5O/c33-28-6-2-1-5-27(28)31(39)18-23-7-9-25(10-8-23)26-11-12-29-30(19-26)36-32(21-35-29)38-16-14-37(15-17-38)22-24-4-3-13-34-20-24/h1-13,19-21H,14-18,22H2
InChIKeyGZLZMUSIOXWDJM-UHFFFAOYSA-N
MW517.61 g/mol
LogP5.58
Rot. Bonds7

About 1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone

1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone (PubChem CID 147736533) has the molecular formula C32H28FN5O and a molecular weight of 517.61 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone
PubChem CID147736533
Molecular FormulaC32H28FN5O
Molecular Weight517.61 g/mol
Exact Mass517.23
IUPAC Name1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)c1ccccc1F
InChIInChI=1S/C32H28FN5O/c33-28-6-2-1-5-27(28)31(39)18-23-7-9-25(10-8-23)26-11-12-29-30(19-26)36-32(21-35-29)38-16-14-37(15-17-38)22-24-4-3-13-34-20-24/h1-13,19-21H,14-18,22H2
InChIKeyGZLZMUSIOXWDJM-UHFFFAOYSA-N
XLogP5.58
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.61
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone with MolForge

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Related Compounds

N-(1,10-phenanthrolin-2-yl)benzamide
CID 463101
TbPTR1 inhibitor 1
CID 164517153
[3-(2-Aminopyrimidin-5-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300285
Piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone
CID 135300356
[3-(6-Morpholin-4-yl-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300359
[3-[6-(Dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300407
[3-[6-(Methylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300439
[3-(6-Amino-3-pyridinyl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 146476165
2-Fluoro-4-(3-(1-(7-fluoroquinolin-2-YL)azetidin-3-YL)pyrazin-2-YL)-N-methylbenzamide
CID 72694225
Piperazine, 1-(2-pyridinyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
CID 3055244
[2-(4-Propylphenyl)-4-quinolinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone
CID 1261214
(2-Phenylquinolin-4-yl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 1329160

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone (CID 147736533) is 1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone is O=C(Cc1ccc(-c2ccc3ncc(N4CCN(Cc5cccnc5)CC4)nc3c2)cc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone?
The InChIKey is GZLZMUSIOXWDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN5O/c33-28-6-2-1-5-27(28)31(39)18-23-7-9-25(10-8-23)26-11-12-29-30(19-26)36-32(21-35-29)38-16-14-37(15-17-38)22-24-4-3-13-34-20-24/h1-13,19-21H,14-18,22H2.
What are the key properties of 1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone?
1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone has a molecular weight of 517.61 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone is sourced from PubChem (CID 147736533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).