5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one

C21H23NO4 — CID 20597909

IUPAC5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one
SMILESCC(=O)CCCOCc1ccc(COCc2ccc3ccccc3n2)o1
InChIInChI=1S/C21H23NO4/c1-16(23)5-4-12-24-14-19-10-11-20(26-19)15-25-13-18-9-8-17-6-2-3-7-21(17)22-18/h2-3,6-11H,4-5,12-15H2,1H3
InChIKeyZACAZPHHFWODSQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.43
Rot. Bonds10

About 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one

5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one (PubChem CID 20597909) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one.

Molecular Properties

Compound Name5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one
PubChem CID20597909
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one
SMILESCC(=O)CCCOCc1ccc(COCc2ccc3ccccc3n2)o1
InChIInChI=1S/C21H23NO4/c1-16(23)5-4-12-24-14-19-10-11-20(26-19)15-25-13-18-9-8-17-6-2-3-7-21(17)22-18/h2-3,6-11H,4-5,12-15H2,1H3
InChIKeyZACAZPHHFWODSQ-UHFFFAOYSA-N
XLogP4.43
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one with MolForge

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Related Compounds

5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol
CID 142024751
2-(dodecoxymethyl)quinoline
CID 14754989
methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate
CID 18008059
11-quinolin-2-yloxyundecan-2-one
CID 19898708
4-(quinolin-2-ylmethylsulfanyl)butan-2-one
CID 20505325
1-methoxy-4-quinolin-2-ylbutan-2-one
CID 79417247
4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
2-methyl-6-[2-[5-(quinolin-2-ylmethoxy)pentoxy]ethyl]benzoic acid
CID 174451431
methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate;2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoic acid
CID 157213046
4-(2,2-difluoroethoxy)-1-quinolin-2-ylbutan-2-one
CID 103147109
2-(prop-2-enoxymethyl)quinoline
CID 10821856
1-quinolin-2-ylpentan-2-one
CID 28935199

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one?
The IUPAC name of 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one (CID 20597909) is 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one.
What is the SMILES notation for 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one?
The canonical SMILES for 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one is CC(=O)CCCOCc1ccc(COCc2ccc3ccccc3n2)o1.
What is the InChIKey of 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one?
The InChIKey is ZACAZPHHFWODSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-16(23)5-4-12-24-14-19-10-11-20(26-19)15-25-13-18-9-8-17-6-2-3-7-21(17)22-18/h2-3,6-11H,4-5,12-15H2,1H3.
What are the key properties of 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one?
5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one has a molecular weight of 353.42 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one is sourced from PubChem (CID 20597909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).