3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol

C15H19NO2 — CID 103027648

IUPAC3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1cccc2ncccc12
InChIInChI=1S/C15H19NO2/c1-15(2,18-3)10-14(17)12-6-4-8-13-11(12)7-5-9-16-13/h4-9,14,17H,10H2,1-3H3
InChIKeyQKGKDFRDNFWELP-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.08
Rot. Bonds4

About 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol

3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol (PubChem CID 103027648) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol
PubChem CID103027648
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1cccc2ncccc12
InChIInChI=1S/C15H19NO2/c1-15(2,18-3)10-14(17)12-6-4-8-13-11(12)7-5-9-16-13/h4-9,14,17H,10H2,1-3H3
InChIKeyQKGKDFRDNFWELP-UHFFFAOYSA-N
XLogP3.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine
CID 103028668
(3-methoxy-3-methyl-1-quinolin-5-ylbutyl)hydrazine
CID 103025431
3-methoxy-1-quinolin-5-ylpropan-1-ol
CID 81220357
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
(1R)-1-quinolin-5-ylethanol
CID 86326294
2-tert-butylsulfanyl-1-quinolin-5-ylethanamine
CID 81231907
2-(propylamino)-1-quinolin-5-ylethanol
CID 81221210
4-phenyl-1-quinolin-5-ylbutan-1-ol
CID 105091341
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105109180
(2-tert-butylsulfanyl-1-quinolin-5-ylethyl)hydrazine
CID 105226551
2-(1-methylimidazol-2-yl)-1-quinolin-5-ylethanol
CID 105113593
CID 158967293
CID 158967293

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol?
The IUPAC name of 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol (CID 103027648) is 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol is COC(C)(C)CC(O)c1cccc2ncccc12.
What is the InChIKey of 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol?
The InChIKey is QKGKDFRDNFWELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2,18-3)10-14(17)12-6-4-8-13-11(12)7-5-9-16-13/h4-9,14,17H,10H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol?
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol is sourced from PubChem (CID 103027648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).