(5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

C19H24N2O2 — CID 124953153

IUPAC(5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESO[C@@H]1CCCOC12CCN(Cc1ccnc3ccccc13)CC2
InChIInChI=1S/C19H24N2O2/c22-18-6-3-13-23-19(18)8-11-21(12-9-19)14-15-7-10-20-17-5-2-1-4-16(15)17/h1-2,4-5,7,10,18,22H,3,6,8-9,11-14H2/t18-/m1/s1
InChIKeyDTNFAMRWEJDYJG-GOSISDBHSA-N
MW312.41 g/mol
LogP2.74
Rot. Bonds2

About (5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

(5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 124953153) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name(5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID124953153
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESO[C@@H]1CCCOC12CCN(Cc1ccnc3ccccc13)CC2
InChIInChI=1S/C19H24N2O2/c22-18-6-3-13-23-19(18)8-11-21(12-9-19)14-15-7-10-20-17-5-2-1-4-16(15)17/h1-2,4-5,7,10,18,22H,3,6,8-9,11-14H2/t18-/m1/s1
InChIKeyDTNFAMRWEJDYJG-GOSISDBHSA-N
XLogP2.74
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-9-[(2-ethylpyrimidin-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99935784
(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone
CID 110159736
(5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124965240
(5S)-9-[(2,6-dimethoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 125011061
(1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56891779
9-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72839956
9-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 91842518
(5S)-9-(7-chloroquinolin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97200285
9-[(3-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 175657618
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
(5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99932500

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of (5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 124953153) is (5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for (5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for (5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is O[C@@H]1CCCOC12CCN(Cc1ccnc3ccccc13)CC2.
What is the InChIKey of (5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is DTNFAMRWEJDYJG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18-6-3-13-23-19(18)8-11-21(12-9-19)14-15-7-10-20-17-5-2-1-4-16(15)17/h1-2,4-5,7,10,18,22H,3,6,8-9,11-14H2/t18-/m1/s1.
What are the key properties of (5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol?
(5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 312.41 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 124953153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).