3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one

C14H12N4OS — CID 3236834

IUPAC3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one
SMILESNn1c(CSc2ccccn2)nc2ccccc2c1=O
InChIInChI=1S/C14H12N4OS/c15-18-12(9-20-13-7-3-4-8-16-13)17-11-6-2-1-5-10(11)14(18)19/h1-8H,9,15H2
InChIKeyMGGJBAXCESVGFN-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.80
Rot. Bonds3

About 3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one

3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one (PubChem CID 3236834) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one
PubChem CID3236834
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one
SMILESNn1c(CSc2ccccn2)nc2ccccc2c1=O
InChIInChI=1S/C14H12N4OS/c15-18-12(9-20-13-7-3-4-8-16-13)17-11-6-2-1-5-10(11)14(18)19/h1-8H,9,15H2
InChIKeyMGGJBAXCESVGFN-UHFFFAOYSA-N
XLogP1.80
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 973891
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one?
The IUPAC name of 3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one (CID 3236834) is 3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one?
The canonical SMILES for 3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one is Nn1c(CSc2ccccn2)nc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one?
The InChIKey is MGGJBAXCESVGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-18-12(9-20-13-7-3-4-8-16-13)17-11-6-2-1-5-10(11)14(18)19/h1-8H,9,15H2.
What are the key properties of 3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one?
3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one has a molecular weight of 284.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(pyridin-2-ylsulfanylmethyl)quinazolin-4-one is sourced from PubChem (CID 3236834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).