4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline

C24H27NO5 — CID 169416361

IUPAC4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline
SMILESCOc1ccc(-c2cc(C)c3cccc(OCC4CCCO4)c3n2)c(OC)c1OC
InChIInChI=1S/C24H27NO5/c1-15-13-19(18-10-11-21(26-2)24(28-4)23(18)27-3)25-22-17(15)8-5-9-20(22)30-14-16-7-6-12-29-16/h5,8-11,13,16H,6-7,12,14H2,1-4H3
InChIKeySUUKMLQLQMVUFZ-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.79
Rot. Bonds7

About 4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline

4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline (PubChem CID 169416361) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline.

Molecular Properties

Compound Name4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline
PubChem CID169416361
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline
SMILESCOc1ccc(-c2cc(C)c3cccc(OCC4CCCO4)c3n2)c(OC)c1OC
InChIInChI=1S/C24H27NO5/c1-15-13-19(18-10-11-21(26-2)24(28-4)23(18)27-3)25-22-17(15)8-5-9-20(22)30-14-16-7-6-12-29-16/h5,8-11,13,16H,6-7,12,14H2,1-4H3
InChIKeySUUKMLQLQMVUFZ-UHFFFAOYSA-N
XLogP4.79
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
2-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-4-methyl-1H-benzimidazole
CID 103597043
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
1-[2-methoxy-6-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 113389072
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
1-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907628
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 55708234
2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
CID 104705218
8,9-dimethoxy-1-methyl-2-(oxan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118610055
2-[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]ethanamine
CID 60904835
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline?
The IUPAC name of 4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline (CID 169416361) is 4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline.
What is the SMILES notation for 4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline?
The canonical SMILES for 4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline is COc1ccc(-c2cc(C)c3cccc(OCC4CCCO4)c3n2)c(OC)c1OC.
What is the InChIKey of 4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline?
The InChIKey is SUUKMLQLQMVUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-15-13-19(18-10-11-21(26-2)24(28-4)23(18)27-3)25-22-17(15)8-5-9-20(22)30-14-16-7-6-12-29-16/h5,8-11,13,16H,6-7,12,14H2,1-4H3.
What are the key properties of 4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline?
4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline has a molecular weight of 409.48 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(oxolan-2-ylmethoxy)-2-(2,3,4-trimethoxyphenyl)quinoline is sourced from PubChem (CID 169416361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).