1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid

C14H15FN2O2 — CID 10682892

IUPAC1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid
SMILESCC/N=c1/c(C(=O)O)cn(CC)c2cc(F)ccc12
InChIInChI=1S/C14H15FN2O2/c1-3-16-13-10-6-5-9(15)7-12(10)17(4-2)8-11(13)14(18)19/h5-8H,3-4H2,1-2H3,(H,18,19)/b16-13+
InChIKeyGJERJBBPGPASKY-DTQAZKPQSA-N
MW262.28 g/mol
LogP2.42
Rot. Bonds3

About 1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid

1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid (PubChem CID 10682892) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid
PubChem CID10682892
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid
SMILESCC/N=c1/c(C(=O)O)cn(CC)c2cc(F)ccc12
InChIInChI=1S/C14H15FN2O2/c1-3-16-13-10-6-5-9(15)7-12(10)17(4-2)8-11(13)14(18)19/h5-8H,3-4H2,1-2H3,(H,18,19)/b16-13+
InChIKeyGJERJBBPGPASKY-DTQAZKPQSA-N
XLogP2.42
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-ethylimino-7-fluoroquinoline-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 1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid?
The IUPAC name of 1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid (CID 10682892) is 1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid?
The canonical SMILES for 1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid is CC/N=c1/c(C(=O)O)cn(CC)c2cc(F)ccc12.
What is the InChIKey of 1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid?
The InChIKey is GJERJBBPGPASKY-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-16-13-10-6-5-9(15)7-12(10)17(4-2)8-11(13)14(18)19/h5-8H,3-4H2,1-2H3,(H,18,19)/b16-13+.
What are the key properties of 1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid?
1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid has a molecular weight of 262.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid is sourced from PubChem (CID 10682892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).