2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate

C15H17NO4 — CID 142164952

IUPAC2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate
SMILESCCC(=O)OCCOCc1ccc(O)c2ncccc12
InChIInChI=1S/C15H17NO4/c1-2-14(18)20-9-8-19-10-11-5-6-13(17)15-12(11)4-3-7-16-15/h3-7,17H,2,8-10H2,1H3
InChIKeyNFASMTOWUUJJLX-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.41
Rot. Bonds6

About 2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate

2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate (PubChem CID 142164952) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate.

Molecular Properties

Compound Name2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate
PubChem CID142164952
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate
SMILESCCC(=O)OCCOCc1ccc(O)c2ncccc12
InChIInChI=1S/C15H17NO4/c1-2-14(18)20-9-8-19-10-11-5-6-13(17)15-12(11)4-3-7-16-15/h3-7,17H,2,8-10H2,1H3
InChIKeyNFASMTOWUUJJLX-UHFFFAOYSA-N
XLogP2.41
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(octoxymethyl)quinolin-8-ol;hydrochloride
CID 46946912
2-(8-hydroxyquinolin-5-yl)ethyl acetate
CID 90678815
3-(8-hydroxyquinolin-5-yl)propyl 2-methylprop-2-enoate
CID 151753034
2-[(8-nitrosoquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate
CID 89140424
5-undecylquinolin-8-ol
CID 10780517
5-(methylsulfanylmethyl)quinolin-8-ol
CID 58730254
2-[(8-hydroxy-7-pentan-3-ylquinolin-5-yl)methoxy]ethyl 2-methylprop-2-enoate
CID 101414624
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride
CID 154727412
ethyl (3S)-1-[(8-hydroxyquinolin-5-yl)methyl]piperidine-3-carboxylate
CID 698137
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-ethoxyethyl 2-quinolin-8-yloxyacetate
CID 71408852

Frequently Asked Questions

What is the IUPAC name of 2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate?
The IUPAC name of 2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate (CID 142164952) is 2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate.
What is the SMILES notation for 2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate?
The canonical SMILES for 2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate is CCC(=O)OCCOCc1ccc(O)c2ncccc12.
What is the InChIKey of 2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate?
The InChIKey is NFASMTOWUUJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-14(18)20-9-8-19-10-11-5-6-13(17)15-12(11)4-3-7-16-15/h3-7,17H,2,8-10H2,1H3.
What are the key properties of 2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate?
2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate has a molecular weight of 275.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-hydroxyquinolin-5-yl)methoxy]ethyl propanoate is sourced from PubChem (CID 142164952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).