propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate

C21H20FNO4 — CID 12882387

IUPACpropyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate
SMILESCCCOC(=O)C(C)Oc1ccc(Oc2ccc3cc(F)ccc3n2)cc1
InChIInChI=1S/C21H20FNO4/c1-3-12-25-21(24)14(2)26-17-6-8-18(9-7-17)27-20-11-4-15-13-16(22)5-10-19(15)23-20/h4-11,13-14H,3,12H2,1-2H3
InChIKeyUWMDBQPIYDVPKO-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.89
Rot. Bonds7

About propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate

propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate (PubChem CID 12882387) has the molecular formula C21H20FNO4 and a molecular weight of 369.39 g/mol. Its IUPAC name is propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate.

Molecular Properties

Compound Namepropyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate
PubChem CID12882387
Molecular FormulaC21H20FNO4
Molecular Weight369.39 g/mol
Exact Mass369.14
IUPAC Namepropyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate
SMILESCCCOC(=O)C(C)Oc1ccc(Oc2ccc3cc(F)ccc3n2)cc1
InChIInChI=1S/C21H20FNO4/c1-3-12-25-21(24)14(2)26-17-6-8-18(9-7-17)27-20-11-4-15-13-16(22)5-10-19(15)23-20/h4-11,13-14H,3,12H2,1-2H3
InChIKeyUWMDBQPIYDVPKO-UHFFFAOYSA-N
XLogP4.89
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride
CID 68761041
ethyl 2-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]propanoate
CID 21162883
(2-chloroquinolin-3-yl)methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 9487283
(2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate
CID 9487282
butyl (2S)-2-(4-ethylphenoxy)propanoate
CID 71346852
2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate
CID 23325154
butyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
CID 90941759
2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate
CID 151905720
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate
CID 10830920
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 57291337

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate?
The IUPAC name of propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate (CID 12882387) is propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate.
What is the SMILES notation for propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate?
The canonical SMILES for propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate is CCCOC(=O)C(C)Oc1ccc(Oc2ccc3cc(F)ccc3n2)cc1.
What is the InChIKey of propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate?
The InChIKey is UWMDBQPIYDVPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4/c1-3-12-25-21(24)14(2)26-17-6-8-18(9-7-17)27-20-11-4-15-13-16(22)5-10-19(15)23-20/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate?
propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate has a molecular weight of 369.39 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate is sourced from PubChem (CID 12882387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).