[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone

C24H31N3O3 — CID 171911330

IUPAC[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC2(CC1)CC(O)CN(C1CCOCC1)C2
InChIInChI=1S/C24H31N3O3/c28-20-15-24(17-27(16-20)19-7-13-30-14-8-19)9-11-26(12-10-24)23(29)22-6-5-18-3-1-2-4-21(18)25-22/h1-6,19-20,28H,7-17H2
InChIKeyPYOLJDKPAALXFX-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.70
Rot. Bonds2

About [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone

[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone (PubChem CID 171911330) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
PubChem CID171911330
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC2(CC1)CC(O)CN(C1CCOCC1)C2
InChIInChI=1S/C24H31N3O3/c28-20-15-24(17-27(16-20)19-7-13-30-14-8-19)9-11-26(12-10-24)23(29)22-6-5-18-3-1-2-4-21(18)25-22/h1-6,19-20,28H,7-17H2
InChIKeyPYOLJDKPAALXFX-UHFFFAOYSA-N
XLogP2.70
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-fluoro-2-pyridinyl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 171914263
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone
CID 171908847
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 171910424
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-(3-methylthiophen-2-yl)methanone
CID 171915962
(3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 171912358
1-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 171906400
(4-amino-8-oxa-2-azaspiro[4.5]decan-2-yl)-quinolin-2-ylmethanone
CID 155955126
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
2-(1,3-dimethylpyrazol-4-yl)-1-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone;formic acid
CID 172897528
[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 97418532
1-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 171915834
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone (CID 171911330) is [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCC2(CC1)CC(O)CN(C1CCOCC1)C2.
What is the InChIKey of [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone?
The InChIKey is PYOLJDKPAALXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-20-15-24(17-27(16-20)19-7-13-30-14-8-19)9-11-26(12-10-24)23(29)22-6-5-18-3-1-2-4-21(18)25-22/h1-6,19-20,28H,7-17H2.
What are the key properties of [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone?
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone has a molecular weight of 409.53 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 171911330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).