5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol

C21H23NO4 — CID 142024751

IUPAC5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol
SMILESC=C(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/h2-3,6-11,23H,1,4-5,12-15H2
InChIKeyWNMZEPDCAUJSSX-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.91
Rot. Bonds10

About 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol

5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol (PubChem CID 142024751) 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]pent-1-en-2-ol.

Molecular Properties

Compound Name5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol
PubChem CID142024751
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol
SMILESC=C(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/h2-3,6-11,23H,1,4-5,12-15H2
InChIKeyWNMZEPDCAUJSSX-UHFFFAOYSA-N
XLogP4.91
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one
CID 20597909
2-(dodecoxymethyl)quinoline
CID 14754989
2-(prop-2-enoxymethyl)quinoline
CID 10821856
2-methyl-6-[2-[5-(quinolin-2-ylmethoxy)pentoxy]ethyl]benzoic acid
CID 174451431
methyl 2-methyl-6-[3-(quinolin-2-ylmethoxy)propoxymethyl]benzoate
CID 18008059
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
2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol
CID 18008046
4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
2-quinolin-2-ylacetic acid;hydrate
CID 141421012

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol?
The IUPAC name of 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol (CID 142024751) is 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol.
What is the SMILES notation for 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol?
The canonical SMILES for 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol is C=C(O)CCCOCc1ccc(COCc2ccc3ccccc3n2)o1.
What is the InChIKey of 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol?
The InChIKey is WNMZEPDCAUJSSX-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/h2-3,6-11,23H,1,4-5,12-15H2.
What are the key properties of 5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol?
5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol has a molecular weight of 353.42 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 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]pent-1-en-2-ol is sourced from PubChem (CID 142024751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).