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

C24H20FN3O2 — CID 2345963

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H20FN3O2/c25-17-7-9-18(10-8-17)27-11-13-28(14-12-27)24(29)20-16-22(23-6-3-15-30-23)26-21-5-2-1-4-19(20)21/h1-10,15-16H,11-14H2
InChIKeyRQZXKXWTIOXUES-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.60
Rot. Bonds3

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

[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone (PubChem CID 2345963) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
PubChem CID2345963
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H20FN3O2/c25-17-7-9-18(10-8-17)27-11-13-28(14-12-27)24(29)20-16-22(23-6-3-15-30-23)26-21-5-2-1-4-19(20)21/h1-10,15-16H,11-14H2
InChIKeyRQZXKXWTIOXUES-UHFFFAOYSA-N
XLogP4.60
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.60
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-(furan-2-yl)quinolin-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone (CID 2345963) is [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone is O=C(c1cc(-c2ccco2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone?
The InChIKey is RQZXKXWTIOXUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c25-17-7-9-18(10-8-17)27-11-13-28(14-12-27)24(29)20-16-22(23-6-3-15-30-23)26-21-5-2-1-4-19(20)21/h1-10,15-16H,11-14H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone has a molecular weight of 401.44 g/mol, XLogP of 4.60, 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-(furan-2-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 2345963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).