8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one

C21H23FN2O3 — CID 118905031

IUPAC8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(OCC3(O)CCN(c4ccccc4)CC3)ccc(F)c2N1
InChIInChI=1S/C21H23FN2O3/c22-17-7-8-18(16-6-9-19(25)23-20(16)17)27-14-21(26)10-12-24(13-11-21)15-4-2-1-3-5-15/h1-5,7-8,26H,6,9-14H2,(H,23,25)
InChIKeyIXRMBGARGBPIOA-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.12
Rot. Bonds4

About 8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one

8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118905031) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID118905031
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(OCC3(O)CCN(c4ccccc4)CC3)ccc(F)c2N1
InChIInChI=1S/C21H23FN2O3/c22-17-7-8-18(16-6-9-19(25)23-20(16)17)27-14-21(26)10-12-24(13-11-21)15-4-2-1-3-5-15/h1-5,7-8,26H,6,9-14H2,(H,23,25)
InChIKeyIXRMBGARGBPIOA-UHFFFAOYSA-N
XLogP3.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 118905031) is 8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(OCC3(O)CCN(c4ccccc4)CC3)ccc(F)c2N1.
What is the InChIKey of 8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IXRMBGARGBPIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-17-7-8-18(16-6-9-19(25)23-20(16)17)27-14-21(26)10-12-24(13-11-21)15-4-2-1-3-5-15/h1-5,7-8,26H,6,9-14H2,(H,23,25).
What are the key properties of 8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 370.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118905031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).