(6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol

C25H36N2O2 — CID 143099826

IUPAC(6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCC/C=C\C1=C(C)C2(CCN(C[C@@H]3Cc4cccnc4C(O)C3)CC2)OC1(C)C
InChIInChI=1S/C25H36N2O2/c1-5-6-9-21-18(2)25(29-24(21,3)4)10-13-27(14-11-25)17-19-15-20-8-7-12-26-23(20)22(28)16-19/h6-9,12,19,22,28H,5,10-11,13-17H2,1-4H3/b9-6-/t19-,22?/m1/s1
InChIKeyCFITUOUQWUJKMQ-CBBLEKBFSA-N
MW396.58 g/mol
LogP4.60
Rot. Bonds4

About (6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol

(6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol (PubChem CID 143099826) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is (6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Name(6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
PubChem CID143099826
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name(6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESCC/C=C\C1=C(C)C2(CCN(C[C@@H]3Cc4cccnc4C(O)C3)CC2)OC1(C)C
InChIInChI=1S/C25H36N2O2/c1-5-6-9-21-18(2)25(29-24(21,3)4)10-13-27(14-11-25)17-19-15-20-8-7-12-26-23(20)22(28)16-19/h6-9,12,19,22,28H,5,10-11,13-17H2,1-4H3/b9-6-/t19-,22?/m1/s1
InChIKeyCFITUOUQWUJKMQ-CBBLEKBFSA-N
XLogP4.60
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

Pirmenol
CID 65502
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
CID 5303332
(7R,9S)-7-(((3S,4R)-3-methyl-4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11152739
trans-(+)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11187225
(-)-7-((4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11256620
(-)-(3R,4R)-4-(2-Chloro-4-fluorophenyl)-3-hydroxy-1-{[(6R,8S)-8-hydroxy-5,6,7,8-tetrahydroquinolin-6-yl]methyl}piperidinium Chloride
CID 11326750
(7R,9S)-7-(((3S,4R)-3-(hydroxymethyl)-4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11372427
(7R,9S)-7-(((3S,4S)-3-hydroxy-4-o-tolylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 11462727
8-Hydroxy-5,6,7,8-tetrahydroquinoline
CID 11815939
(7R,9S)-7-((4-phenylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894430
(7R,9S)-7-((4-methyl-4-phenylpiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 24894431
(6R,8S)-6-((4-o-tolylpiperidin-1-yl)methyl)-5,6,7,8-tetrahydroquinolin-8-ol
CID 24894531

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The IUPAC name of (6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol (CID 143099826) is (6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol.
What is the SMILES notation for (6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The canonical SMILES for (6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol is CC/C=C\C1=C(C)C2(CCN(C[C@@H]3Cc4cccnc4C(O)C3)CC2)OC1(C)C.
What is the InChIKey of (6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The InChIKey is CFITUOUQWUJKMQ-CBBLEKBFSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-5-6-9-21-18(2)25(29-24(21,3)4)10-13-27(14-11-25)17-19-15-20-8-7-12-26-23(20)22(28)16-19/h6-9,12,19,22,28H,5,10-11,13-17H2,1-4H3/b9-6-/t19-,22?/m1/s1.
What are the key properties of (6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
(6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol has a molecular weight of 396.58 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[3-[(Z)-but-1-enyl]-2,2,4-trimethyl-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol is sourced from PubChem (CID 143099826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).