4,6-dimethoxy-7-pentan-3-yloxyquinoline

C16H21NO3 — CID 155219752

IUPAC4,6-dimethoxy-7-pentan-3-yloxyquinoline
SMILESCCC(CC)Oc1cc2nccc(OC)c2cc1OC
InChIInChI=1S/C16H21NO3/c1-5-11(6-2)20-16-10-13-12(9-15(16)19-4)14(18-3)7-8-17-13/h7-11H,5-6H2,1-4H3
InChIKeyOYOOCGGMMHMRML-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.82
Rot. Bonds6

About 4,6-dimethoxy-7-pentan-3-yloxyquinoline

4,6-dimethoxy-7-pentan-3-yloxyquinoline (PubChem CID 155219752) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4,6-dimethoxy-7-pentan-3-yloxyquinoline.

Molecular Properties

Compound Name4,6-dimethoxy-7-pentan-3-yloxyquinoline
PubChem CID155219752
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4,6-dimethoxy-7-pentan-3-yloxyquinoline
SMILESCCC(CC)Oc1cc2nccc(OC)c2cc1OC
InChIInChI=1S/C16H21NO3/c1-5-11(6-2)20-16-10-13-12(9-15(16)19-4)14(18-3)7-8-17-13/h7-11H,5-6H2,1-4H3
InChIKeyOYOOCGGMMHMRML-UHFFFAOYSA-N
XLogP3.82
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methane;4,6,7-trimethoxyquinoline
CID 157066291
4-methoxy-7-methyl-6-propan-2-yloxyquinoline
CID 144937171
(6,7-dimethoxyquinolin-4-yl)phosphane
CID 118485424
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
2-(6,7-dimethoxyquinolin-4-yl)acetic acid
CID 11436553
1-(4-methoxy-3-pentan-3-yloxyphenyl)ethanone
CID 68617560
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
7-ethoxy-6-methoxy-N,N-dimethylquinolin-4-amine
CID 58208321
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-ethyl-3-fluoroaniline
CID 67457884
4-(6,7-dimethoxyquinolin-4-yl)oxycyclohexan-1-amine
CID 139337026
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-7-pentan-3-yloxyquinoline?
The IUPAC name of 4,6-dimethoxy-7-pentan-3-yloxyquinoline (CID 155219752) is 4,6-dimethoxy-7-pentan-3-yloxyquinoline.
What is the SMILES notation for 4,6-dimethoxy-7-pentan-3-yloxyquinoline?
The canonical SMILES for 4,6-dimethoxy-7-pentan-3-yloxyquinoline is CCC(CC)Oc1cc2nccc(OC)c2cc1OC.
What is the InChIKey of 4,6-dimethoxy-7-pentan-3-yloxyquinoline?
The InChIKey is OYOOCGGMMHMRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-5-11(6-2)20-16-10-13-12(9-15(16)19-4)14(18-3)7-8-17-13/h7-11H,5-6H2,1-4H3.
What are the key properties of 4,6-dimethoxy-7-pentan-3-yloxyquinoline?
4,6-dimethoxy-7-pentan-3-yloxyquinoline has a molecular weight of 275.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-7-pentan-3-yloxyquinoline is sourced from PubChem (CID 155219752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).