2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol

C16H21NO2 — CID 116713256

IUPAC2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol
SMILESCOC(C(O)c1cccc2cccnc12)C(C)(C)C
InChIInChI=1S/C16H21NO2/c1-16(2,3)15(19-4)14(18)12-9-5-7-11-8-6-10-17-13(11)12/h5-10,14-15,18H,1-4H3
InChIKeyVNVYFFQRJOZJNC-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.33
Rot. Bonds3

About 2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol

2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol (PubChem CID 116713256) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol
PubChem CID116713256
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol
SMILESCOC(C(O)c1cccc2cccnc12)C(C)(C)C
InChIInChI=1S/C16H21NO2/c1-16(2,3)15(19-4)14(18)12-9-5-7-11-8-6-10-17-13(11)12/h5-10,14-15,18H,1-4H3
InChIKeyVNVYFFQRJOZJNC-UHFFFAOYSA-N
XLogP3.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-quinolin-8-ylbutan-1-ol
CID 116710945
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
2,2-diethoxy-1-quinolin-8-ylethanol
CID 81220226
3-methoxy-1-quinolin-8-ylbutan-1-ol
CID 113391294
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
2-(dimethylamino)-2-methyl-1-quinolin-8-ylpropan-1-ol
CID 81220750
1-cyclohexyl-2-quinolin-8-ylethane-1,2-diol
CID 103459066
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-ol
CID 81209930
8-(dichloromethyl)quinoline
CID 19989328
methyl 4-amino-3-quinolin-8-ylbutanoate
CID 66098918
1-(2-amino-3-pyridinyl)-2-ethoxy-3,3-dimethylbutan-1-ol
CID 116713305
5-methyl-1-quinolin-8-ylhexan-1-ol
CID 83158737

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol?
The IUPAC name of 2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol (CID 116713256) is 2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol?
The canonical SMILES for 2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol is COC(C(O)c1cccc2cccnc12)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol?
The InChIKey is VNVYFFQRJOZJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2,3)15(19-4)14(18)12-9-5-7-11-8-6-10-17-13(11)12/h5-10,14-15,18H,1-4H3.
What are the key properties of 2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol?
2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol is sourced from PubChem (CID 116713256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).