[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone

C20H18FN3O — CID 110694885

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
SMILESO=C(c1ccnc2ccccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H18FN3O/c21-17-6-2-4-8-19(17)23-11-13-24(14-12-23)20(25)16-9-10-22-18-7-3-1-5-15(16)18/h1-10H,11-14H2
InChIKeyXWQFYNLRHOHXAO-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.34
Rot. Bonds2

About [4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone

[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone (PubChem CID 110694885) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
PubChem CID110694885
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
SMILESO=C(c1ccnc2ccccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H18FN3O/c21-17-6-2-4-8-19(17)23-11-13-24(14-12-23)20(25)16-9-10-22-18-7-3-1-5-15(16)18/h1-10H,11-14H2
InChIKeyXWQFYNLRHOHXAO-UHFFFAOYSA-N
XLogP3.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 22334042
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 126476890
[4-(2-fluorophenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-7-ylmethanone
CID 110854620
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 4584269
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
1-[(2-fluorophenyl)methyl]-4-(quinoline-4-carbonyl)piperazin-2-one
CID 70758963
(2,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1332392
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone (CID 110694885) is [4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone is O=C(c1ccnc2ccccc12)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone?
The InChIKey is XWQFYNLRHOHXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-17-6-2-4-8-19(17)23-11-13-24(14-12-23)20(25)16-9-10-22-18-7-3-1-5-15(16)18/h1-10H,11-14H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone?
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone has a molecular weight of 335.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone is sourced from PubChem (CID 110694885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).