[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone

C25H22FN3O2 — CID 1022894

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)o1
InChIInChI=1S/C25H22FN3O2/c1-17-6-11-24(31-17)23-16-21(20-4-2-3-5-22(20)27-23)25(30)29-14-12-28(13-15-29)19-9-7-18(26)8-10-19/h2-11,16H,12-15H2,1H3
InChIKeyFMHHBJHIEYEQCY-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.90
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone (PubChem CID 1022894) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
PubChem CID1022894
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)o1
InChIInChI=1S/C25H22FN3O2/c1-17-6-11-24(31-17)23-16-21(20-4-2-3-5-22(20)27-23)25(30)29-14-12-28(13-15-29)19-9-7-18(26)8-10-19/h2-11,16H,12-15H2,1H3
InChIKeyFMHHBJHIEYEQCY-UHFFFAOYSA-N
XLogP4.90
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone (CID 1022894) is [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)o1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
The InChIKey is FMHHBJHIEYEQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-17-6-11-24(31-17)23-16-21(20-4-2-3-5-22(20)27-23)25(30)29-14-12-28(13-15-29)19-9-7-18(26)8-10-19/h2-11,16H,12-15H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone has a molecular weight of 415.47 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(5-methylfuran-2-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 1022894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).