1-methoxy-2-quinolin-7-ylbutan-2-ol

C14H17NO2 — CID 81216496

IUPAC1-methoxy-2-quinolin-7-ylbutan-2-ol
SMILESCCC(O)(COC)c1ccc2cccnc2c1
InChIInChI=1S/C14H17NO2/c1-3-14(16,10-17-2)12-7-6-11-5-4-8-15-13(11)9-12/h4-9,16H,3,10H2,1-2H3
InChIKeyVUBXCNLTYVXHAH-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.48
Rot. Bonds4

About 1-methoxy-2-quinolin-7-ylbutan-2-ol

1-methoxy-2-quinolin-7-ylbutan-2-ol (PubChem CID 81216496) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-methoxy-2-quinolin-7-ylbutan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-quinolin-7-ylbutan-2-ol
PubChem CID81216496
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-methoxy-2-quinolin-7-ylbutan-2-ol
SMILESCCC(O)(COC)c1ccc2cccnc2c1
InChIInChI=1S/C14H17NO2/c1-3-14(16,10-17-2)12-7-6-11-5-4-8-15-13(11)9-12/h4-9,16H,3,10H2,1-2H3
InChIKeyVUBXCNLTYVXHAH-UHFFFAOYSA-N
XLogP2.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-phenyl-1-quinolin-7-ylethanol
CID 103465513
1-(2-methoxyethylamino)-2-quinolin-7-ylpropan-2-ol
CID 81221998
3-chloro-1-phenyl-1-quinolin-7-ylpropan-1-ol
CID 116696208
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
2-methyl-2-quinolin-7-ylpropanoic acid
CID 81223992
1-(2-methoxyphenyl)-1-quinolin-7-ylethanamine
CID 81196953
1-amino-2-methyl-3-quinolin-7-yloxypropan-2-ol
CID 107315662
1-phenyl-1-quinolin-7-ylethanamine
CID 81216667
2-methyl-3-quinolin-6-ylpentan-3-ol
CID 81215889
4-(2-methylpropylamino)-2-quinolin-7-ylbutan-2-ol
CID 81221362
(2-ethyl-2-methoxy-1-quinolin-7-ylbutyl)hydrazine
CID 105275332
ethane;quinolin-7-ol
CID 143537862

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-quinolin-7-ylbutan-2-ol?
The IUPAC name of 1-methoxy-2-quinolin-7-ylbutan-2-ol (CID 81216496) is 1-methoxy-2-quinolin-7-ylbutan-2-ol.
What is the SMILES notation for 1-methoxy-2-quinolin-7-ylbutan-2-ol?
The canonical SMILES for 1-methoxy-2-quinolin-7-ylbutan-2-ol is CCC(O)(COC)c1ccc2cccnc2c1.
What is the InChIKey of 1-methoxy-2-quinolin-7-ylbutan-2-ol?
The InChIKey is VUBXCNLTYVXHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-14(16,10-17-2)12-7-6-11-5-4-8-15-13(11)9-12/h4-9,16H,3,10H2,1-2H3.
What are the key properties of 1-methoxy-2-quinolin-7-ylbutan-2-ol?
1-methoxy-2-quinolin-7-ylbutan-2-ol has a molecular weight of 231.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-quinolin-7-ylbutan-2-ol is sourced from PubChem (CID 81216496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).