4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one

C21H18FN3O2 — CID 166384473

IUPAC4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccc(F)c3cccnc23)C(c2ccccc2)C1=O
InChIInChI=1S/C21H18FN3O2/c1-24-12-13-25(19(21(24)27)14-6-3-2-4-7-14)20(26)16-9-10-17(22)15-8-5-11-23-18(15)16/h2-11,19H,12-13H2,1H3
InChIKeyCRICXSAADIJSNN-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.03
Rot. Bonds2

About 4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one

4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one (PubChem CID 166384473) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one
PubChem CID166384473
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccc(F)c3cccnc23)C(c2ccccc2)C1=O
InChIInChI=1S/C21H18FN3O2/c1-24-12-13-25(19(21(24)27)14-6-3-2-4-7-14)20(26)16-9-10-17(22)15-8-5-11-23-18(15)16/h2-11,19H,12-13H2,1H3
InChIKeyCRICXSAADIJSNN-UHFFFAOYSA-N
XLogP3.03
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one?
The IUPAC name of 4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one (CID 166384473) is 4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one.
What is the SMILES notation for 4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one?
The canonical SMILES for 4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one is CN1CCN(C(=O)c2ccc(F)c3cccnc23)C(c2ccccc2)C1=O.
What is the InChIKey of 4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one?
The InChIKey is CRICXSAADIJSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-24-12-13-25(19(21(24)27)14-6-3-2-4-7-14)20(26)16-9-10-17(22)15-8-5-11-23-18(15)16/h2-11,19H,12-13H2,1H3.
What are the key properties of 4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one?
4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one has a molecular weight of 363.39 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoroquinoline-8-carbonyl)-1-methyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 166384473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).