ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol

C25H38N2O2 — CID 143099827

IUPACethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESC/C=C\C1=C(CC)C2(CCN(C[C@@H]3Cc4cccnc4C(O)C3)CC2)OC1.CC
InChIInChI=1S/C23H32N2O2.C2H6/c1-3-6-19-16-27-23(20(19)4-2)8-11-25(12-9-23)15-17-13-18-7-5-10-24-22(18)21(26)14-17;1-2/h3,5-7,10,17,21,26H,4,8-9,11-16H2,1-2H3;1-2H3/b6-3-;/t17-,21?;/m1./s1
InChIKeyBQQGBZWYIFGZAA-JAUOYCSHSA-N
MW398.59 g/mol
LogP4.85
Rot. Bonds4

About ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol

ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol (PubChem CID 143099827) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol.

Molecular Properties

Compound Nameethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
PubChem CID143099827
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Nameethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol
SMILESC/C=C\C1=C(CC)C2(CCN(C[C@@H]3Cc4cccnc4C(O)C3)CC2)OC1.CC
InChIInChI=1S/C23H32N2O2.C2H6/c1-3-6-19-16-27-23(20(19)4-2)8-11-25(12-9-23)15-17-13-18-7-5-10-24-22(18)21(26)14-17;1-2/h3,5-7,10,17,21,26H,4,8-9,11-16H2,1-2H3;1-2H3/b6-3-;/t17-,21?;/m1./s1
InChIKeyBQQGBZWYIFGZAA-JAUOYCSHSA-N
XLogP4.85
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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 ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The IUPAC name of ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol (CID 143099827) is ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-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 ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The canonical SMILES for ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol is C/C=C\C1=C(CC)C2(CCN(C[C@@H]3Cc4cccnc4C(O)C3)CC2)OC1.CC.
What is the InChIKey of ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
The InChIKey is BQQGBZWYIFGZAA-JAUOYCSHSA-N. The full InChI is InChI=1S/C23H32N2O2.C2H6/c1-3-6-19-16-27-23(20(19)4-2)8-11-25(12-9-23)15-17-13-18-7-5-10-24-22(18)21(26)14-17;1-2/h3,5-7,10,17,21,26H,4,8-9,11-16H2,1-2H3;1-2H3/b6-3-;/t17-,21?;/m1./s1.
What are the key properties of ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol?
ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol has a molecular weight of 398.59 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(6R)-6-[[4-ethyl-3-[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-en-8-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-ol is sourced from PubChem (CID 143099827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).