7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C12H11FN2O3 — CID 609884

IUPAC7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N)cc21
InChIInChI=1S/C12H11FN2O3/c1-2-15-5-7(12(17)18)11(16)6-3-8(13)9(14)4-10(6)15/h3-5H,2,14H2,1H3,(H,17,18)
InChIKeyVVWOYRFKKIVWJQ-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.44
Rot. Bonds2

About 7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 609884) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID609884
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(N)cc21
InChIInChI=1S/C12H11FN2O3/c1-2-15-5-7(12(17)18)11(16)6-3-8(13)9(14)4-10(6)15/h3-5H,2,14H2,1H3,(H,17,18)
InChIKeyVVWOYRFKKIVWJQ-UHFFFAOYSA-N
XLogP1.44
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Flumequine
CID 3374
Ciprofloxacin
CID 2764
Norfloxacin
CID 4539
Enrofloxacin
CID 71188
Danofloxacin
CID 71335
Sarafloxacin
CID 56208
Fleroxacin
CID 3357
Lomefloxacin
CID 3948
Pefloxacin
CID 51081
Sparfloxacin
CID 60464
Temafloxacin
CID 60021
Grepafloxacin
CID 72474

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 609884) is 7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(N)cc21.
What is the InChIKey of 7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is VVWOYRFKKIVWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-2-15-5-7(12(17)18)11(16)6-3-8(13)9(14)4-10(6)15/h3-5H,2,14H2,1H3,(H,17,18).
What are the key properties of 7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 609884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).