2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid

C13H10FNO3 — CID 68531415

IUPAC2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1c(F)ccc2ccc(OC)nc12
InChIInChI=1S/C13H10FNO3/c1-7(13(16)17)11-9(14)5-3-8-4-6-10(18-2)15-12(8)11/h3-6H,1H2,2H3,(H,16,17)
InChIKeyDDIUSKWCOZPATG-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.48
Rot. Bonds3

About 2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid

2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid (PubChem CID 68531415) has the molecular formula C13H10FNO3 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid
PubChem CID68531415
Molecular FormulaC13H10FNO3
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)c1c(F)ccc2ccc(OC)nc12
InChIInChI=1S/C13H10FNO3/c1-7(13(16)17)11-9(14)5-3-8-4-6-10(18-2)15-12(8)11/h3-6H,1H2,2H3,(H,16,17)
InChIKeyDDIUSKWCOZPATG-UHFFFAOYSA-N
XLogP2.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid?
The IUPAC name of 2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid (CID 68531415) is 2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid.
What is the SMILES notation for 2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid?
The canonical SMILES for 2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid is C=C(C(=O)O)c1c(F)ccc2ccc(OC)nc12.
What is the InChIKey of 2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid?
The InChIKey is DDIUSKWCOZPATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c1-7(13(16)17)11-9(14)5-3-8-4-6-10(18-2)15-12(8)11/h3-6H,1H2,2H3,(H,16,17).
What are the key properties of 2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid?
2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid has a molecular weight of 247.22 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-methoxyquinolin-8-yl)prop-2-enoic acid is sourced from PubChem (CID 68531415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).