1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one

C19H19ClFN3O — CID 70712830

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESO=C1N(Cc2cc(Cl)ccc2F)c2ccccc2NC12CCNCC2
InChIInChI=1S/C19H19ClFN3O/c20-14-5-6-15(21)13(11-14)12-24-17-4-2-1-3-16(17)23-19(18(24)25)7-9-22-10-8-19/h1-6,11,22-23H,7-10,12H2
InChIKeyLFMLXNGMBJNZJH-UHFFFAOYSA-N
MW359.83 g/mol
LogP3.56
Rot. Bonds2

About 1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one

1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one (PubChem CID 70712830) has the molecular formula C19H19ClFN3O and a molecular weight of 359.83 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
PubChem CID70712830
Molecular FormulaC19H19ClFN3O
Molecular Weight359.83 g/mol
Exact Mass359.12
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one
SMILESO=C1N(Cc2cc(Cl)ccc2F)c2ccccc2NC12CCNCC2
InChIInChI=1S/C19H19ClFN3O/c20-14-5-6-15(21)13(11-14)12-24-17-4-2-1-3-16(17)23-19(18(24)25)7-9-22-10-8-19/h1-6,11,22-23H,7-10,12H2
InChIKeyLFMLXNGMBJNZJH-UHFFFAOYSA-N
XLogP3.56
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one (CID 70712830) is 1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one is O=C1N(Cc2cc(Cl)ccc2F)c2ccccc2NC12CCNCC2.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
The InChIKey is LFMLXNGMBJNZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O/c20-14-5-6-15(21)13(11-14)12-24-17-4-2-1-3-16(17)23-19(18(24)25)7-9-22-10-8-19/h1-6,11,22-23H,7-10,12H2.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one?
1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one has a molecular weight of 359.83 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]spiro[4H-quinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70712830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).