(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone

C19H22N2O3 — CID 110159736

IUPAC(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C19H22N2O3/c22-17-7-3-13-24-19(17)8-11-21(12-9-19)18(23)15-4-1-6-16-14(15)5-2-10-20-16/h1-2,4-6,10,17,22H,3,7-9,11-13H2
InChIKeyHPNPJKGDDMCAJF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.38
Rot. Bonds1

About (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone

(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone (PubChem CID 110159736) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone
PubChem CID110159736
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C19H22N2O3/c22-17-7-3-13-24-19(17)8-11-21(12-9-19)18(23)15-4-1-6-16-14(15)5-2-10-20-16/h1-2,4-6,10,17,22H,3,7-9,11-13H2
InChIKeyHPNPJKGDDMCAJF-UHFFFAOYSA-N
XLogP2.38
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethoxy-3-pyridinyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97192067
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxyphenyl)methanone
CID 125000712
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
(5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124953153
[4-(3-fluoro-2-pyridinyl)phenyl]-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 126425713
[(4R)-4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-4-ylmethanone
CID 124788983
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone
CID 56914850
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 97189447
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 125021815
(2-chloro-4-fluorophenyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97196154
(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 114509956
(5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97144176

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone?
The IUPAC name of (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone (CID 110159736) is (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone.
What is the SMILES notation for (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone?
The canonical SMILES for (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone is O=C(c1cccc2ncccc12)N1CCC2(CC1)OCCCC2O.
What is the InChIKey of (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone?
The InChIKey is HPNPJKGDDMCAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17-7-3-13-24-19(17)8-11-21(12-9-19)18(23)15-4-1-6-16-14(15)5-2-10-20-16/h1-2,4-6,10,17,22H,3,7-9,11-13H2.
What are the key properties of (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone?
(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone is sourced from PubChem (CID 110159736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).