3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one

C10H10FN3O — CID 82507284

IUPAC3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one
SMILESNCCc1n[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C10H10FN3O/c11-6-1-2-8-7(5-6)10(15)9(3-4-12)14-13-8/h1-2,5H,3-4,12H2,(H,13,15)
InChIKeyKFEZIAGOFAHYIO-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.56
Rot. Bonds2

About 3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one

3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one (PubChem CID 82507284) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one
PubChem CID82507284
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one
SMILESNCCc1n[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C10H10FN3O/c11-6-1-2-8-7(5-6)10(15)9(3-4-12)14-13-8/h1-2,5H,3-4,12H2,(H,13,15)
InChIKeyKFEZIAGOFAHYIO-UHFFFAOYSA-N
XLogP0.56
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one 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

3-acetyl-6-fluoro-1H-cinnolin-4-one
CID 39733177
6-fluoro-3-(2H-tetrazol-5-yl)-1H-quinolin-4-one
CID 135623219
3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea
CID 110470406
5-fluoro-N-methyl-1H-indazole-3-carboxamide
CID 110469324
2-[5-fluoro-2-(trifluoromethyl)-1H-indol-3-yl]ethanamine
CID 84632127
3-(3-bromopropoxy)-5-fluoro-1H-indazole
CID 119093883
3-chloro-6-fluoro-1H-quinolin-4-one
CID 45118012
3-N-(4-fluorophenyl)-1H-indazole-3,5-diamine
CID 69074655
2-fluoro-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 58939138
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine
CID 83849204
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one?
The IUPAC name of 3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one (CID 82507284) is 3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one is NCCc1n[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of 3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one?
The InChIKey is KFEZIAGOFAHYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-6-1-2-8-7(5-6)10(15)9(3-4-12)14-13-8/h1-2,5H,3-4,12H2,(H,13,15).
What are the key properties of 3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one?
3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one has a molecular weight of 207.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-6-fluoro-1H-cinnolin-4-one is sourced from PubChem (CID 82507284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).