1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid

C17H14FNO4 — CID 14708900

IUPAC1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc(C)o3)cc21
InChIInChI=1S/C17H14FNO4/c1-3-19-8-12(17(21)22)16(20)11-6-13(18)10(7-14(11)19)15-5-4-9(2)23-15/h4-8H,3H2,1-2H3,(H,21,22)
InChIKeyHLVBGGIMDVNDAE-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.43
Rot. Bonds3

About 1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid

1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 14708900) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid
PubChem CID14708900
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc(C)o3)cc21
InChIInChI=1S/C17H14FNO4/c1-3-19-8-12(17(21)22)16(20)11-6-13(18)10(7-14(11)19)15-5-4-9(2)23-15/h4-8H,3H2,1-2H3,(H,21,22)
InChIKeyHLVBGGIMDVNDAE-UHFFFAOYSA-N
XLogP3.43
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid (CID 14708900) is 1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3ccc(C)o3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is HLVBGGIMDVNDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c1-3-19-8-12(17(21)22)16(20)11-6-13(18)10(7-14(11)19)15-5-4-9(2)23-15/h4-8H,3H2,1-2H3,(H,21,22).
What are the key properties of 1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid?
1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 315.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-7-(5-methylfuran-2-yl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 14708900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).