(7-fluoro-2-methoxyquinolin-8-yl) propanoate

C13H12FNO3 — CID 90871559

IUPAC(7-fluoro-2-methoxyquinolin-8-yl) propanoate
SMILESCCC(=O)Oc1c(F)ccc2ccc(OC)nc12
InChIInChI=1S/C13H12FNO3/c1-3-11(16)18-13-9(14)6-4-8-5-7-10(17-2)15-12(8)13/h4-7H,3H2,1-2H3
InChIKeyLIFDYOWNMWLQTL-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.70
Rot. Bonds3

About (7-fluoro-2-methoxyquinolin-8-yl) propanoate

(7-fluoro-2-methoxyquinolin-8-yl) propanoate (PubChem CID 90871559) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is (7-fluoro-2-methoxyquinolin-8-yl) propanoate.

Molecular Properties

Compound Name(7-fluoro-2-methoxyquinolin-8-yl) propanoate
PubChem CID90871559
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name(7-fluoro-2-methoxyquinolin-8-yl) propanoate
SMILESCCC(=O)Oc1c(F)ccc2ccc(OC)nc12
InChIInChI=1S/C13H12FNO3/c1-3-11(16)18-13-9(14)6-4-8-5-7-10(17-2)15-12(8)13/h4-7H,3H2,1-2H3
InChIKeyLIFDYOWNMWLQTL-UHFFFAOYSA-N
XLogP2.70
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S,3R)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2,3-dihydroxypropanoate
CID 68630515
7-fluoro-2-methoxy-8-phenylmethoxyquinoline
CID 68632467
7-fluoro-2-methoxy-8-methylquinoline
CID 67547364
ethyl (2S)-2-bromo-3-(7-fluoro-2-methoxyquinolin-8-yl)propanoate
CID 87522904
ethyl (2S)-3-(7-fluoro-2-methoxyquinolin-8-yl)-2-hydroxypropanoate
CID 68631923
2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid
CID 68531415
(2-amino-6-fluorophenyl) propanoate
CID 70075863
2-(7-fluoro-2-methoxyquinolin-8-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 158814860
5-fluoro-2-methoxy-8-nitroquinoline
CID 86241718
(3-fluoro-2,6-dinitrophenyl) propanoate
CID 174727561
tert-butyl 4-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-methoxy-3-oxopropyl]piperazine-1-carboxylate
CID 68554365
3-(3-fluoro-6-methoxy-2-pyridinyl)butanoic acid
CID 84679533

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methoxyquinolin-8-yl) propanoate?
The IUPAC name of (7-fluoro-2-methoxyquinolin-8-yl) propanoate (CID 90871559) is (7-fluoro-2-methoxyquinolin-8-yl) propanoate.
What is the SMILES notation for (7-fluoro-2-methoxyquinolin-8-yl) propanoate?
The canonical SMILES for (7-fluoro-2-methoxyquinolin-8-yl) propanoate is CCC(=O)Oc1c(F)ccc2ccc(OC)nc12.
What is the InChIKey of (7-fluoro-2-methoxyquinolin-8-yl) propanoate?
The InChIKey is LIFDYOWNMWLQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-3-11(16)18-13-9(14)6-4-8-5-7-10(17-2)15-12(8)13/h4-7H,3H2,1-2H3.
What are the key properties of (7-fluoro-2-methoxyquinolin-8-yl) propanoate?
(7-fluoro-2-methoxyquinolin-8-yl) propanoate has a molecular weight of 249.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methoxyquinolin-8-yl) propanoate is sourced from PubChem (CID 90871559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).