1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid

C15H11F2N3O3 — CID 3022117

IUPAC1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3ccnc3)c(F)c21
InChIInChI=1S/C15H11F2N3O3/c1-2-19-6-9(15(22)23)14(21)8-5-10(16)13(11(17)12(8)19)20-4-3-18-7-20/h3-7H,2H2,1H3,(H,22,23)
InChIKeyZCZHOXAHCTXLSJ-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.18
Rot. Bonds3

About 1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid

1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid (PubChem CID 3022117) has the molecular formula C15H11F2N3O3 and a molecular weight of 319.27 g/mol. Its IUPAC name is 1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid
PubChem CID3022117
Molecular FormulaC15H11F2N3O3
Molecular Weight319.27 g/mol
Exact Mass319.08
IUPAC Name1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3ccnc3)c(F)c21
InChIInChI=1S/C15H11F2N3O3/c1-2-19-6-9(15(22)23)14(21)8-5-10(16)13(11(17)12(8)19)20-4-3-18-7-20/h3-7H,2H2,1H3,(H,22,23)
InChIKeyZCZHOXAHCTXLSJ-UHFFFAOYSA-N
XLogP2.18
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid (CID 3022117) is 1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(-n3ccnc3)c(F)c21.
What is the InChIKey of 1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is ZCZHOXAHCTXLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3/c1-2-19-6-9(15(22)23)14(21)8-5-10(16)13(11(17)12(8)19)20-4-3-18-7-20/h3-7H,2H2,1H3,(H,22,23).
What are the key properties of 1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid?
1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 319.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,8-difluoro-7-imidazol-1-yl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 3022117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).