3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid

C13H8N4O2S — CID 62700957

IUPAC3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Sc1ncnc2ccccc12
InChIInChI=1S/C13H8N4O2S/c18-13(19)10-12(15-6-5-14-10)20-11-8-3-1-2-4-9(8)16-7-17-11/h1-7H,(H,18,19)
InChIKeyZBETVXQGTNZPKO-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.27
Rot. Bonds3

About 3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid

3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid (PubChem CID 62700957) has the molecular formula C13H8N4O2S and a molecular weight of 284.30 g/mol. Its IUPAC name is 3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid
PubChem CID62700957
Molecular FormulaC13H8N4O2S
Molecular Weight284.30 g/mol
Exact Mass284.04
IUPAC Name3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Sc1ncnc2ccccc12
InChIInChI=1S/C13H8N4O2S/c18-13(19)10-12(15-6-5-14-10)20-11-8-3-1-2-4-9(8)16-7-17-11/h1-7H,(H,18,19)
InChIKeyZBETVXQGTNZPKO-UHFFFAOYSA-N
XLogP2.27
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenylsulfanylpyrazine-2-carboxylic acid
CID 12556842
(3-quinazolin-4-ylsulfanylpyrazin-2-yl)methanamine
CID 62683489
2-quinazolin-4-ylsulfanylphenol
CID 62026320
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893
4-(quinazolin-4-ylsulfanylmethyl)benzoic acid
CID 60625185
4-(5-bromopyrimidin-4-yl)sulfanylquinazoline
CID 66319173
3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid
CID 62701775
4-[(5-bromo-3-fluoro-2-pyridinyl)sulfanyl]quinazoline
CID 114047896
3-quinazolin-4-ylsulfanylcyclopent-2-en-1-one
CID 104788101
3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide
CID 107060940
5-amino-2-quinazolin-4-ylsulfanylbenzamide
CID 61306689
5-bromo-4-quinazolin-4-ylsulfanyl-1H-pyrimidin-6-one
CID 114791119

Frequently Asked Questions

What is the IUPAC name of 3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid?
The IUPAC name of 3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid (CID 62700957) is 3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid is O=C(O)c1nccnc1Sc1ncnc2ccccc12.
What is the InChIKey of 3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid?
The InChIKey is ZBETVXQGTNZPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O2S/c18-13(19)10-12(15-6-5-14-10)20-11-8-3-1-2-4-9(8)16-7-17-11/h1-7H,(H,18,19).
What are the key properties of 3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid?
3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid has a molecular weight of 284.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid is sourced from PubChem (CID 62700957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).