1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone

C19H17NO3 — CID 33079900

IUPAC1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCc2cccc3cccnc23)c1
InChIInChI=1S/C19H17NO3/c1-13(21)17-9-8-16(22-2)11-18(17)23-12-15-6-3-5-14-7-4-10-20-19(14)15/h3-11H,12H2,1-2H3
InChIKeyDZFHZMXCURJDCC-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.03
Rot. Bonds5

About 1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone

1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone (PubChem CID 33079900) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone
PubChem CID33079900
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(OCc2cccc3cccnc23)c1
InChIInChI=1S/C19H17NO3/c1-13(21)17-9-8-16(22-2)11-18(17)23-12-15-6-3-5-14-7-4-10-20-19(14)15/h3-11H,12H2,1-2H3
InChIKeyDZFHZMXCURJDCC-UHFFFAOYSA-N
XLogP4.03
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(quinolin-8-ylmethoxy)benzamide
CID 17419396
8-[(2-bromo-5-methoxyphenyl)methoxy]quinoline
CID 25270942
8-[[6,13,20-trimethoxy-12,19-bis(quinolin-8-ylmethoxy)-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl]oxymethyl]quinoline
CID 11285895
1-[4-methoxy-2-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]ethanone
CID 66554673
1-[2,4-bis[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 11280801
1-[2-[(2,4-dichlorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78906437
4-methoxy-2-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 115981695
2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid
CID 91863926
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
(E)-1-(4-methoxyphenyl)-3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]prop-2-en-1-one
CID 19558622
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78978251
N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
CID 134036124

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone (CID 33079900) is 1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone is COc1ccc(C(C)=O)c(OCc2cccc3cccnc23)c1.
What is the InChIKey of 1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone?
The InChIKey is DZFHZMXCURJDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13(21)17-9-8-16(22-2)11-18(17)23-12-15-6-3-5-14-7-4-10-20-19(14)15/h3-11H,12H2,1-2H3.
What are the key properties of 1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone?
1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone has a molecular weight of 307.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 33079900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).