2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol

C16H29NO4 — CID 162808927

IUPAC2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol
SMILESCOC1C2CC(C(C)(C)O)OC2N(C)C2C(O)CCCC12
InChIInChI=1S/C16H29NO4/c1-16(2,19)12-8-10-14(20-4)9-6-5-7-11(18)13(9)17(3)15(10)21-12/h9-15,18-19H,5-8H2,1-4H3
InChIKeyCQKGKEQDYVJAAT-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.98
Rot. Bonds2

About 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol

2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol (PubChem CID 162808927) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol
PubChem CID162808927
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol
SMILESCOC1C2CC(C(C)(C)O)OC2N(C)C2C(O)CCCC12
InChIInChI=1S/C16H29NO4/c1-16(2,19)12-8-10-14(20-4)9-6-5-7-11(18)13(9)17(3)15(10)21-12/h9-15,18-19H,5-8H2,1-4H3
InChIKeyCQKGKEQDYVJAAT-UHFFFAOYSA-N
XLogP0.98
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-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

(13S)-10-methoxy-16-methyl-13-prop-1-en-2-yl-3,5,14-trioxa-16-azatetracyclo[7.7.0.02,6.011,15]hexadecane
CID 163152993
6-(2-hydroxypropan-2-yl)oxan-2-ol
CID 175813988
(1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 54291635
cis-(1R,2S)-2-(2-methoxypropan-2-yl)cyclopentan-1-ol
CID 10534953
(1R,4aR,5S,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diol
CID 11907324
CID 174147638
CID 174147638
ethane;2-methoxycyclopentan-1-ol
CID 177178786
[(1R,5R)-5-(2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] acetate
CID 20593567
2-[(6R)-6-phenyloxan-2-yl]propan-2-ol
CID 102038459
(2R,6R)-2-tert-butyl-6-methoxyoxane
CID 12740301
6,7-dimethoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 45096733
trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol
CID 11309669

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol (CID 162808927) is 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol is COC1C2CC(C(C)(C)O)OC2N(C)C2C(O)CCCC12.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol?
The InChIKey is CQKGKEQDYVJAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-16(2,19)12-8-10-14(20-4)9-6-5-7-11(18)13(9)17(3)15(10)21-12/h9-15,18-19H,5-8H2,1-4H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol?
2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol has a molecular weight of 299.41 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-3,3a,4,4a,5,6,7,8,8a,9a-decahydro-2H-furo[2,3-b]quinolin-8-ol is sourced from PubChem (CID 162808927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).