7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C14H16FN3O3 — CID 12733924

IUPAC7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(NCCN)cc21
InChIInChI=1S/C14H16FN3O3/c1-2-18-7-9(14(20)21)13(19)8-5-10(15)11(6-12(8)18)17-4-3-16/h5-7,17H,2-4,16H2,1H3,(H,20,21)
InChIKeyLPCBOASHZANLJB-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.23
Rot. Bonds5

About 7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 12733924) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID12733924
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cc(F)c(NCCN)cc21
InChIInChI=1S/C14H16FN3O3/c1-2-18-7-9(14(20)21)13(19)8-5-10(15)11(6-12(8)18)17-4-3-16/h5-7,17H,2-4,16H2,1H3,(H,20,21)
InChIKeyLPCBOASHZANLJB-UHFFFAOYSA-N
XLogP1.23
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-(2-aminoethylamino)-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

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 12733924) is 7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2cc(F)c(NCCN)cc21.
What is the InChIKey of 7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is LPCBOASHZANLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-2-18-7-9(14(20)21)13(19)8-5-10(15)11(6-12(8)18)17-4-3-16/h5-7,17H,2-4,16H2,1H3,(H,20,21).
What are the key properties of 7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 12733924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).