[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone

C24H31N3O3 — CID 171908847

IUPAC[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)N1CCC2(CC1)CC(O)CN(C1CCOCC1)C2
InChIInChI=1S/C24H31N3O3/c28-21-15-24(17-27(16-21)20-5-12-30-13-6-20)7-10-26(11-8-24)23(29)19-3-4-22-18(14-19)2-1-9-25-22/h1-4,9,14,20-21,28H,5-8,10-13,15-17H2
InChIKeyMUCJWOGNUATUMS-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-6-ylmethanone

[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone (PubChem CID 171908847) 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-6-ylmethanone.

Molecular Properties

Compound Name[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone
PubChem CID171908847
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-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)N1CCC2(CC1)CC(O)CN(C1CCOCC1)C2
InChIInChI=1S/C24H31N3O3/c28-21-15-24(17-27(16-21)20-5-12-30-13-6-20)7-10-26(11-8-24)23(29)19-3-4-22-18(14-19)2-1-9-25-22/h1-4,9,14,20-21,28H,5-8,10-13,15-17H2
InChIKeyMUCJWOGNUATUMS-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

[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 171911330
(5-fluoro-2-pyridinyl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 171914263
(3,5-dimethylimidazol-4-yl)-[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 171912358
[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
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 115304563
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-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 70711968
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-(quinoline-6-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 171675023
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-quinolin-6-ylmethanone
CID 70774943

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone?
The IUPAC name of [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone (CID 171908847) is [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone is O=C(c1ccc2ncccc2c1)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-6-ylmethanone?
The InChIKey is MUCJWOGNUATUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-21-15-24(17-27(16-21)20-5-12-30-13-6-20)7-10-26(11-8-24)23(29)19-3-4-22-18(14-19)2-1-9-25-22/h1-4,9,14,20-21,28H,5-8,10-13,15-17H2.
What are the key properties of [4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-ylmethanone?
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-quinolin-6-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-6-ylmethanone is sourced from PubChem (CID 171908847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).