4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid

C12H7F2NO5 — CID 15166959

IUPAC4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid
SMILESO=C(O)COc1cc(C(=O)O)nc2cc(F)cc(F)c12
InChIInChI=1S/C12H7F2NO5/c13-5-1-6(14)11-7(2-5)15-8(12(18)19)3-9(11)20-4-10(16)17/h1-3H,4H2,(H,16,17)(H,18,19)
InChIKeyJPEAFOQANPXUGI-UHFFFAOYSA-N
MW283.19 g/mol
LogP1.67
Rot. Bonds4

About 4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid

4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid (PubChem CID 15166959) has the molecular formula C12H7F2NO5 and a molecular weight of 283.19 g/mol. Its IUPAC name is 4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid
PubChem CID15166959
Molecular FormulaC12H7F2NO5
Molecular Weight283.19 g/mol
Exact Mass283.03
IUPAC Name4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid
SMILESO=C(O)COc1cc(C(=O)O)nc2cc(F)cc(F)c12
InChIInChI=1S/C12H7F2NO5/c13-5-1-6(14)11-7(2-5)15-8(12(18)19)3-9(11)20-4-10(16)17/h1-3H,4H2,(H,16,17)(H,18,19)
InChIKeyJPEAFOQANPXUGI-UHFFFAOYSA-N
XLogP1.67
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid?
The IUPAC name of 4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid (CID 15166959) is 4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid.
What is the SMILES notation for 4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid?
The canonical SMILES for 4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid is O=C(O)COc1cc(C(=O)O)nc2cc(F)cc(F)c12.
What is the InChIKey of 4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid?
The InChIKey is JPEAFOQANPXUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO5/c13-5-1-6(14)11-7(2-5)15-8(12(18)19)3-9(11)20-4-10(16)17/h1-3H,4H2,(H,16,17)(H,18,19).
What are the key properties of 4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid?
4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid has a molecular weight of 283.19 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethoxy)-5,7-difluoroquinoline-2-carboxylic acid is sourced from PubChem (CID 15166959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).