[5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

C25H22FN3O2 — CID 16623003

IUPAC[5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C25H22FN3O2/c26-21-8-6-18(7-9-21)22-10-11-23(31-22)25(30)29-15-13-28(14-16-29)17-20-4-1-3-19-5-2-12-27-24(19)20/h1-12H,13-17H2
InChIKeyXQLUUMQEUNNSDT-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.59
Rot. Bonds4

About [5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

[5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (PubChem CID 16623003) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is [5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
PubChem CID16623003
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name[5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C25H22FN3O2/c26-21-8-6-18(7-9-21)22-10-11-23(31-22)25(30)29-15-13-28(14-16-29)17-20-4-1-3-19-5-2-12-27-24(19)20/h1-12H,13-17H2
InChIKeyXQLUUMQEUNNSDT-UHFFFAOYSA-N
XLogP4.59
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (CID 16623003) is [5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of [5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is XQLUUMQEUNNSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c26-21-8-6-18(7-9-21)22-10-11-23(31-22)25(30)29-15-13-28(14-16-29)17-20-4-1-3-19-5-2-12-27-24(19)20/h1-12H,13-17H2.
What are the key properties of [5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
[5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 415.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)furan-2-yl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 16623003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).