6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one

C24H22F2N2O4 — CID 175965443

IUPAC6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([C@@H](O)CN3CC4=CC(Oc5c(F)cccc5F)=C[C@]4(O)C3)ccc2N1
InChIInChI=1S/C24H22F2N2O4/c25-18-2-1-3-19(26)23(18)32-17-9-16-11-28(13-24(16,31)10-17)12-21(29)15-4-6-20-14(8-15)5-7-22(30)27-20/h1-4,6,8-10,21,29,31H,5,7,11-13H2,(H,27,30)/t21-,24-/m0/s1
InChIKeyWLWOMDSOMJMOIR-URXFXBBRSA-N
MW440.45 g/mol
LogP2.83
Rot. Bonds5

About 6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one

6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 175965443) has the molecular formula C24H22F2N2O4 and a molecular weight of 440.45 g/mol. Its IUPAC name is 6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID175965443
Molecular FormulaC24H22F2N2O4
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc([C@@H](O)CN3CC4=CC(Oc5c(F)cccc5F)=C[C@]4(O)C3)ccc2N1
InChIInChI=1S/C24H22F2N2O4/c25-18-2-1-3-19(26)23(18)32-17-9-16-11-28(13-24(16,31)10-17)12-21(29)15-4-6-20-14(8-15)5-7-22(30)27-20/h1-4,6,8-10,21,29,31H,5,7,11-13H2,(H,27,30)/t21-,24-/m0/s1
InChIKeyWLWOMDSOMJMOIR-URXFXBBRSA-N
XLogP2.83
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[(1S)-2-[(3aS)-5-(2-fluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3H-1,3-benzoxazol-2-one
CID 175965465
6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 22736934
6-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 109403412
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-[(1R)-2-[(3aS,5S,6aR)-5-(2,5-difluorophenoxy)-3a-hydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 170560897
6-[(1S)-2-[(3aR,5R,6aS)-5-(2,4-difluorophenoxy)-3a-hydroxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 170560936
6-[(1R)-1-hydroxy-2-(3-hydroxy-4-thiophen-2-ylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453417
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
bicyclo[2.2.0]hexa-1,3,5-triene;6-[1-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 70454211
2-(2,6-difluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 122150911
5-[(2,6-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61086834

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one (CID 175965443) is 6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc([C@@H](O)CN3CC4=CC(Oc5c(F)cccc5F)=C[C@]4(O)C3)ccc2N1.
What is the InChIKey of 6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WLWOMDSOMJMOIR-URXFXBBRSA-N. The full InChI is InChI=1S/C24H22F2N2O4/c25-18-2-1-3-19(26)23(18)32-17-9-16-11-28(13-24(16,31)10-17)12-21(29)15-4-6-20-14(8-15)5-7-22(30)27-20/h1-4,6,8-10,21,29,31H,5,7,11-13H2,(H,27,30)/t21-,24-/m0/s1.
What are the key properties of 6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 440.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 175965443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).