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

C14H12N4OS — CID 53366599

IUPAC3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
SMILESNn1c(SCc2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C14H12N4OS/c15-18-13(19)11-5-1-2-6-12(11)17-14(18)20-9-10-4-3-7-16-8-10/h1-8H,9,15H2
InChIKeyBXYUASIIHFMLHA-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.80
Rot. Bonds3

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

3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one (PubChem CID 53366599) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
PubChem CID53366599
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
SMILESNn1c(SCc2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C14H12N4OS/c15-18-13(19)11-5-1-2-6-12(11)17-14(18)20-9-10-4-3-7-16-8-10/h1-8H,9,15H2
InChIKeyBXYUASIIHFMLHA-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

3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
CID 52566819
2-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 51365215
2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetonitrile
CID 17024685
3-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
CID 3479065
5-phenyl-3-(pyridin-3-ylmethylsulfanyl)-[1,2,4]triazolo[4,3-c]quinazoline
CID 50815243
3-(pyridin-3-ylmethyl)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylsulfanyl]quinazolin-4-one
CID 52709325
3-(pyridin-3-ylmethyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 32785497
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 51365218
3-amino-7-fluoro-2-(2-phenylethylsulfanyl)quinazolin-4-one
CID 53490272
3-amino-7-chloro-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one
CID 53366653
3-methyl-2-(pyridin-3-ylmethylsulfanyl)thieno[3,2-d]pyrimidin-4-one
CID 35194544
3-amino-6-bromo-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-one
CID 53490241

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one (CID 53366599) is 3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one is Nn1c(SCc2cccnc2)nc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
The InChIKey is BXYUASIIHFMLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-18-13(19)11-5-1-2-6-12(11)17-14(18)20-9-10-4-3-7-16-8-10/h1-8H,9,15H2.
What are the key properties of 3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
3-amino-2-(pyridin-3-ylmethylsulfanyl)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-3-ylmethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 53366599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).