3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid

C20H13ClN4O2 — CID 137431027

IUPAC3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C20H13ClN4O2/c21-14-10-13(9-12-7-4-8-23-15(12)14)17-16(11-5-2-1-3-6-11)25-19(22)18(24-17)20(26)27/h1-10H,(H2,22,25)(H,26,27)
InChIKeyNNGLHPQHJQNZHH-UHFFFAOYSA-N
MW376.80 g/mol
LogP4.29
Rot. Bonds3

About 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid

3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid (PubChem CID 137431027) has the molecular formula C20H13ClN4O2 and a molecular weight of 376.80 g/mol. Its IUPAC name is 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid
PubChem CID137431027
Molecular FormulaC20H13ClN4O2
Molecular Weight376.80 g/mol
Exact Mass376.07
IUPAC Name3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid
SMILESNc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C20H13ClN4O2/c21-14-10-13(9-12-7-4-8-23-15(12)14)17-16(11-5-2-1-3-6-11)25-19(22)18(24-17)20(26)27/h1-10H,(H2,22,25)(H,26,27)
InChIKeyNNGLHPQHJQNZHH-UHFFFAOYSA-N
XLogP4.29
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid (CID 137431027) is 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid is Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncccc3c2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid?
The InChIKey is NNGLHPQHJQNZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O2/c21-14-10-13(9-12-7-4-8-23-15(12)14)17-16(11-5-2-1-3-6-11)25-19(22)18(24-17)20(26)27/h1-10H,(H2,22,25)(H,26,27).
What are the key properties of 3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid?
3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazine-2-carboxylic acid has a molecular weight of 376.80 g/mol, XLogP of 4.29, 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-phenylpyrazine-2-carboxylic acid is sourced from PubChem (CID 137431027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).