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

C24H24FN3O3 — CID 118904868

IUPAC8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(OCC3(O)CCN(c4ccc5ccccc5n4)CC3)ccc(F)c2N1
InChIInChI=1S/C24H24FN3O3/c25-18-7-8-20(17-6-10-22(29)27-23(17)18)31-15-24(30)11-13-28(14-12-24)21-9-5-16-3-1-2-4-19(16)26-21/h1-5,7-9,30H,6,10-15H2,(H,27,29)
InChIKeyATFYMJPPHYMYKC-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.67
Rot. Bonds4

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

8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118904868) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID118904868
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(OCC3(O)CCN(c4ccc5ccccc5n4)CC3)ccc(F)c2N1
InChIInChI=1S/C24H24FN3O3/c25-18-7-8-20(17-6-10-22(29)27-23(17)18)31-15-24(30)11-13-28(14-12-24)21-9-5-16-3-1-2-4-19(16)26-21/h1-5,7-9,30H,6,10-15H2,(H,27,29)
InChIKeyATFYMJPPHYMYKC-UHFFFAOYSA-N
XLogP3.67
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118905031
5-[[1-(2,3-dichlorophenyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904206
8-fluoro-5-[[1-[2-fluoro-4-(2-fluoroethoxy)phenyl]-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118903879
5-[[(3R,4S)-1-(4-chloro-2-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904965
5-[[(3R,4R)-1-(2,4-dichloro-6-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904605
5-[[(3S,4S)-1-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3-methoxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904862
5-[[3-amino-1-(3,5-dichloro-2-pyridinyl)-4-hydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904651
8-chloro-5-[[1-(2,4-difluoro-5-methoxyphenyl)-4-hydroxypiperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118904681
[1-(5-chloro-3-fluoro-2-pyridinyl)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-4-hydroxypiperidin-3-yl] acetate
CID 118903966
[1-(3,5-dichloro-2-pyridinyl)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]piperidin-4-yl]methylcarbamic acid
CID 118903872
5-[[(3R,4S)-1-(3,5-dichloro-2-pyridinyl)-3,4-dihydroxy-3-methylpiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118905028
1-(2,5-dichlorophenyl)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]piperidine-4-carboxylic acid
CID 118905119

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 118904868) is 8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(OCC3(O)CCN(c4ccc5ccccc5n4)CC3)ccc(F)c2N1.
What is the InChIKey of 8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ATFYMJPPHYMYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-18-7-8-20(17-6-10-22(29)27-23(17)18)31-15-24(30)11-13-28(14-12-24)21-9-5-16-3-1-2-4-19(16)26-21/h1-5,7-9,30H,6,10-15H2,(H,27,29).
What are the key properties of 8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 421.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[(4-hydroxy-1-quinolin-2-ylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118904868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).