6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one

C14H17NO3 — CID 93346628

IUPAC6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(O[C@H]3CCC[C@@H]3O)ccc2N1
InChIInChI=1S/C14H17NO3/c16-12-2-1-3-13(12)18-10-5-6-11-9(8-10)4-7-14(17)15-11/h5-6,8,12-13,16H,1-4,7H2,(H,15,17)/t12-,13-/m0/s1
InChIKeyPHRBWDPCCNBAKE-STQMWFEESA-N
MW247.29 g/mol
LogP1.86
Rot. Bonds2

About 6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one

6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 93346628) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID93346628
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(O[C@H]3CCC[C@@H]3O)ccc2N1
InChIInChI=1S/C14H17NO3/c16-12-2-1-3-13(12)18-10-5-6-11-9(8-10)4-7-14(17)15-11/h5-6,8,12-13,16H,1-4,7H2,(H,15,17)/t12-,13-/m0/s1
InChIKeyPHRBWDPCCNBAKE-STQMWFEESA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-hydroxycycloheptyl)oxy-2,3-dihydroinden-1-one
CID 107684183
3-[6-(2-hydroxycyclopentyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296642
7-cycloheptyloxy-3,4-dihydro-1H-quinolin-2-one
CID 114940056
(1R)-5-(2-hydroxycyclopentyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 114091325
5-(2-hydroxycyclohexyl)oxy-2,3-dihydroisoindol-1-one
CID 172549961
5-(2-hydroxycyclopentyl)oxy-3H-2-benzofuran-1-one
CID 146296856
6-[2-(2-aminocyclopentyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 79573107
7-(2-oxopyrrolidin-3-yl)oxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 146084890
6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 123840256
5-(2-hydroxycyclohexyl)oxy-2,3-dihydro-1H-inden-1-ol
CID 107684725
6-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228
6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 90054127

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one (CID 93346628) is 6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(O[C@H]3CCC[C@@H]3O)ccc2N1.
What is the InChIKey of 6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PHRBWDPCCNBAKE-STQMWFEESA-N. The full InChI is InChI=1S/C14H17NO3/c16-12-2-1-3-13(12)18-10-5-6-11-9(8-10)4-7-14(17)15-11/h5-6,8,12-13,16H,1-4,7H2,(H,15,17)/t12-,13-/m0/s1.
What are the key properties of 6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one?
6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 93346628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).