6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one

C18H18FN5O3 — CID 91778645

IUPAC6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1nc(CN2CCN(C(=O)c3cc(=O)[nH]c4ccc(F)cc34)CC2)no1
InChIInChI=1S/C18H18FN5O3/c1-11-20-16(22-27-11)10-23-4-6-24(7-5-23)18(26)14-9-17(25)21-15-3-2-12(19)8-13(14)15/h2-3,8-9H,4-7,10H2,1H3,(H,21,25)
InChIKeyIOOMAINLAPRXFU-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.32
Rot. Bonds3

About 6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one

6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 91778645) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one
PubChem CID91778645
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1nc(CN2CCN(C(=O)c3cc(=O)[nH]c4ccc(F)cc34)CC2)no1
InChIInChI=1S/C18H18FN5O3/c1-11-20-16(22-27-11)10-23-4-6-24(7-5-23)18(26)14-9-17(25)21-15-3-2-12(19)8-13(14)15/h2-3,8-9H,4-7,10H2,1H3,(H,21,25)
InChIKeyIOOMAINLAPRXFU-UHFFFAOYSA-N
XLogP1.32
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one (CID 91778645) is 6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one is Cc1nc(CN2CCN(C(=O)c3cc(=O)[nH]c4ccc(F)cc34)CC2)no1.
What is the InChIKey of 6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is IOOMAINLAPRXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-11-20-16(22-27-11)10-23-4-6-24(7-5-23)18(26)14-9-17(25)21-15-3-2-12(19)8-13(14)15/h2-3,8-9H,4-7,10H2,1H3,(H,21,25).
What are the key properties of 6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one?
6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 371.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 91778645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).