1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C22H21FN4O — CID 70755419

IUPAC1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCc1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc2cc(F)ccc12
InChIInChI=1S/C22H21FN4O/c1-14-12-20(24-19-13-15(23)6-7-16(14)19)27-10-8-22(9-11-27)21(28)25-17-4-2-3-5-18(17)26-22/h2-7,12-13,26H,8-11H2,1H3,(H,25,28)
InChIKeyAMRIKRLGTWYVEW-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.09
Rot. Bonds1

About 1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 70755419) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID70755419
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESCc1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc2cc(F)ccc12
InChIInChI=1S/C22H21FN4O/c1-14-12-20(24-19-13-15(23)6-7-16(14)19)27-10-8-22(9-11-27)21(28)25-17-4-2-3-5-18(17)26-22/h2-7,12-13,26H,8-11H2,1H3,(H,25,28)
InChIKeyAMRIKRLGTWYVEW-UHFFFAOYSA-N
XLogP4.09
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 70755419) is 1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is Cc1cc(N2CCC3(CC2)Nc2ccccc2NC3=O)nc2cc(F)ccc12.
What is the InChIKey of 1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is AMRIKRLGTWYVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-14-12-20(24-19-13-15(23)6-7-16(14)19)27-10-8-22(9-11-27)21(28)25-17-4-2-3-5-18(17)26-22/h2-7,12-13,26H,8-11H2,1H3,(H,25,28).
What are the key properties of 1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 376.44 g/mol, XLogP of 4.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(7-fluoro-4-methylquinolin-2-yl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 70755419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).