3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid

C20H12ClFN4O2 — CID 154604522

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid
SMILESNc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C20H12ClFN4O2/c21-14-9-12(8-11-2-1-7-24-15(11)14)17-16(10-3-5-13(22)6-4-10)26-19(23)18(25-17)20(27)28/h1-9H,(H2,23,26)(H,27,28)
InChIKeyOOOFBJPOAPWLPN-UHFFFAOYSA-N
MW394.79 g/mol
LogP4.43
Rot. Bonds3

About 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid

3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid (PubChem CID 154604522) has the molecular formula C20H12ClFN4O2 and a molecular weight of 394.79 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid
PubChem CID154604522
Molecular FormulaC20H12ClFN4O2
Molecular Weight394.79 g/mol
Exact Mass394.06
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid
SMILESNc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C20H12ClFN4O2/c21-14-9-12(8-11-2-1-7-24-15(11)14)17-16(10-3-5-13(22)6-4-10)26-19(23)18(25-17)20(27)28/h1-9H,(H2,23,26)(H,27,28)
InChIKeyOOOFBJPOAPWLPN-UHFFFAOYSA-N
XLogP4.43
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.79
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-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 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid (CID 154604522) is 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid is Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid?
The InChIKey is OOOFBJPOAPWLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN4O2/c21-14-9-12(8-11-2-1-7-24-15(11)14)17-16(10-3-5-13(22)6-4-10)26-19(23)18(25-17)20(27)28/h1-9H,(H2,23,26)(H,27,28).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid?
3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid has a molecular weight of 394.79 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 154604522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).