(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

C19H20ClN3O3 — CID 164693349

IUPAC(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1ccc2cccc(Cl)c2n1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C19H20ClN3O3/c20-13-4-1-3-12-5-6-14(22-16(12)13)17(25)23-10-7-15(24)19(11-23)8-2-9-21-18(19)26/h1,3-6,15,24H,2,7-11H2,(H,21,26)/t15-,19-/m1/s1
InChIKeyDGOKMAKNUANBOS-DNVCBOLYSA-N
MW373.84 g/mol
LogP1.99
Rot. Bonds1

About (6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164693349) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is (6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164693349
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1ccc2cccc(Cl)c2n1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C19H20ClN3O3/c20-13-4-1-3-12-5-6-14(22-16(12)13)17(25)23-10-7-15(24)19(11-23)8-2-9-21-18(19)26/h1,3-6,15,24H,2,7-11H2,(H,21,26)/t15-,19-/m1/s1
InChIKeyDGOKMAKNUANBOS-DNVCBOLYSA-N
XLogP1.99
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6R,11R)-8-(5-chloropyridine-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164697471
(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164689776
(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691027
(6R,11S)-8-(4-chloro-3-methylbenzoyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164692516
(6R,11R)-8-[2-(2-chloro-6-fluorophenyl)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 163305810
(6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164689523
(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164699891
(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164695097
(8-chloroquinolin-2-yl)-[(3S,4S)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
CID 164630959
(6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164700515
(6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164688259
(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698500

Frequently Asked Questions

What is the IUPAC name of (6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (CID 164693349) is (6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is O=C(c1ccc2cccc(Cl)c2n1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is DGOKMAKNUANBOS-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-13-4-1-3-12-5-6-14(22-16(12)13)17(25)23-10-7-15(24)19(11-23)8-2-9-21-18(19)26/h1,3-6,15,24H,2,7-11H2,(H,21,26)/t15-,19-/m1/s1.
What are the key properties of (6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 373.84 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164693349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).