(5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C16H18N4O2 — CID 95716878

IUPAC(5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NC[C@]2(CCCN(c3cnc4ccccc4n3)CC2)O1
InChIInChI=1S/C16H18N4O2/c21-15-18-11-16(22-15)6-3-8-20(9-7-16)14-10-17-12-4-1-2-5-13(12)19-14/h1-2,4-5,10H,3,6-9,11H2,(H,18,21)/t16-/m1/s1
InChIKeyALIPWZPYBHYKSR-MRXNPFEDSA-N
MW298.35 g/mol
LogP2.10
Rot. Bonds1

About (5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 95716878) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID95716878
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NC[C@]2(CCCN(c3cnc4ccccc4n3)CC2)O1
InChIInChI=1S/C16H18N4O2/c21-15-18-11-16(22-15)6-3-8-20(9-7-16)14-10-17-12-4-1-2-5-13(12)19-14/h1-2,4-5,10H,3,6-9,11H2,(H,18,21)/t16-/m1/s1
InChIKeyALIPWZPYBHYKSR-MRXNPFEDSA-N
XLogP2.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 123944758
9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56884136
9-[5-(2-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 137335339
9-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 163310299
4-quinoxalin-2-yl-1,4-oxazepane
CID 134160732
(5S)-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95726431
4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol
CID 155263860
(5S)-7-methyl-2-quinoxalin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97142246
(5R)-9-[3-(1H-benzimidazol-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95720370
(5S)-9-[3-(1H-benzimidazol-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95720371
9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 72873248
4-piperidin-1-yl-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 146040392

Frequently Asked Questions

What is the IUPAC name of (5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 95716878) is (5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1NC[C@]2(CCCN(c3cnc4ccccc4n3)CC2)O1.
What is the InChIKey of (5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is ALIPWZPYBHYKSR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15-18-11-16(22-15)6-3-8-20(9-7-16)14-10-17-12-4-1-2-5-13(12)19-14/h1-2,4-5,10H,3,6-9,11H2,(H,18,21)/t16-/m1/s1.
What are the key properties of (5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 298.35 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-quinoxalin-2-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 95716878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).