[4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

C23H19FN4O2 — CID 24733590

IUPAC[4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCN(c2ccc3cccc(-c4ccc(F)cc4)c3n2)CC1
InChIInChI=1S/C23H19FN4O2/c24-18-7-4-16(5-8-18)19-3-1-2-17-6-9-21(26-22(17)19)27-12-14-28(15-13-27)23(29)20-10-11-25-30-20/h1-11H,12-15H2
InChIKeyRKVYUVCBFKARAQ-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.99
Rot. Bonds3

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

[4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 24733590) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is [4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID24733590
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name[4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESO=C(c1ccno1)N1CCN(c2ccc3cccc(-c4ccc(F)cc4)c3n2)CC1
InChIInChI=1S/C23H19FN4O2/c24-18-7-4-16(5-8-18)19-3-1-2-17-6-9-21(26-22(17)19)27-12-14-28(15-13-27)23(29)20-10-11-25-30-20/h1-11H,12-15H2
InChIKeyRKVYUVCBFKARAQ-UHFFFAOYSA-N
XLogP3.99
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 24733590) is [4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is O=C(c1ccno1)N1CCN(c2ccc3cccc(-c4ccc(F)cc4)c3n2)CC1.
What is the InChIKey of [4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is RKVYUVCBFKARAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-18-7-4-16(5-8-18)19-3-1-2-17-6-9-21(26-22(17)19)27-12-14-28(15-13-27)23(29)20-10-11-25-30-20/h1-11H,12-15H2.
What are the key properties of [4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 402.43 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 24733590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).