(4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone

C25H21FN4O — CID 46093007

IUPAC(4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C25H21FN4O/c26-20-12-10-19(11-13-20)25(31)30-16-14-29(15-17-30)24-23(18-6-2-1-3-7-18)27-21-8-4-5-9-22(21)28-24/h1-13H,14-17H2
InChIKeyPEMDTAXIIXMLLK-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.40
Rot. Bonds3

About (4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone

(4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone (PubChem CID 46093007) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
PubChem CID46093007
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC Name(4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1
InChIInChI=1S/C25H21FN4O/c26-20-12-10-19(11-13-20)25(31)30-16-14-29(15-17-30)24-23(18-6-2-1-3-7-18)27-21-8-4-5-9-22(21)28-24/h1-13H,14-17H2
InChIKeyPEMDTAXIIXMLLK-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-tert-butylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093506
(4-chlorophenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093514
(2-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093474
2-(4-fluorophenyl)-1-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]ethanone
CID 46093552
(5-fluoro-2-methylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093511
[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 46093080
4-benzyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021557
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 44565640
[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46093638
4-[[7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3-phenylquinoxalin-2-yl]amino]butanoic acid
CID 57411696
2-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
CID 50992112
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone (CID 46093007) is (4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone?
The InChIKey is PEMDTAXIIXMLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c26-20-12-10-19(11-13-20)25(31)30-16-14-29(15-17-30)24-23(18-6-2-1-3-7-18)27-21-8-4-5-9-22(21)28-24/h1-13H,14-17H2.
What are the key properties of (4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone has a molecular weight of 412.47 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46093007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).