(6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol

C18H24N4O — CID 163307849

IUPAC(6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol
SMILESCN1CC[C@H](O)[C@@]2(CCCN(c3cnc4ccccc4n3)C2)C1
InChIInChI=1S/C18H24N4O/c1-21-10-7-16(23)18(12-21)8-4-9-22(13-18)17-11-19-14-5-2-3-6-15(14)20-17/h2-3,5-6,11,16,23H,4,7-10,12-13H2,1H3/t16-,18-/m0/s1
InChIKeyHKZSFGVLJPRZGU-WMZOPIPTSA-N
MW312.42 g/mol
LogP1.91
Rot. Bonds1

About (6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol

(6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol (PubChem CID 163307849) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol.

Molecular Properties

Compound Name(6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol
PubChem CID163307849
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol
SMILESCN1CC[C@H](O)[C@@]2(CCCN(c3cnc4ccccc4n3)C2)C1
InChIInChI=1S/C18H24N4O/c1-21-10-7-16(23)18(12-21)8-4-9-22(13-18)17-11-19-14-5-2-3-6-15(14)20-17/h2-3,5-6,11,16,23H,4,7-10,12-13H2,1H3/t16-,18-/m0/s1
InChIKeyHKZSFGVLJPRZGU-WMZOPIPTSA-N
XLogP1.91
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol?
The IUPAC name of (6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol (CID 163307849) is (6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol.
What is the SMILES notation for (6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol?
The canonical SMILES for (6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol is CN1CC[C@H](O)[C@@]2(CCCN(c3cnc4ccccc4n3)C2)C1.
What is the InChIKey of (6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol?
The InChIKey is HKZSFGVLJPRZGU-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-10-7-16(23)18(12-21)8-4-9-22(13-18)17-11-19-14-5-2-3-6-15(14)20-17/h2-3,5-6,11,16,23H,4,7-10,12-13H2,1H3/t16-,18-/m0/s1.
What are the key properties of (6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol?
(6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol has a molecular weight of 312.42 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,11S)-8-methyl-2-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-11-ol is sourced from PubChem (CID 163307849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).