3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid

C20H14N4O2 — CID 137423701

IUPAC3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C20H14N4O2/c21-19-18(20(25)26)23-17(16(24-19)12-5-2-1-3-6-12)14-8-9-15-13(11-14)7-4-10-22-15/h1-11H,(H2,21,24)(H,25,26)
InChIKeyWCTGVWWPJIUKBU-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.64
Rot. Bonds3

About 3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid

3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid (PubChem CID 137423701) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid
PubChem CID137423701
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)O
InChIInChI=1S/C20H14N4O2/c21-19-18(20(25)26)23-17(16(24-19)12-5-2-1-3-6-12)14-8-9-15-13(11-14)7-4-10-22-15/h1-11H,(H2,21,24)(H,25,26)
InChIKeyWCTGVWWPJIUKBU-UHFFFAOYSA-N
XLogP3.64
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid (CID 137423701) is 3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid is Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)O.
What is the InChIKey of 3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid?
The InChIKey is WCTGVWWPJIUKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c21-19-18(20(25)26)23-17(16(24-19)12-5-2-1-3-6-12)14-8-9-15-13(11-14)7-4-10-22-15/h1-11H,(H2,21,24)(H,25,26).
What are the key properties of 3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid?
3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid has a molecular weight of 342.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxylic acid is sourced from PubChem (CID 137423701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).