6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one

C14H11N3O2S — CID 135412767

IUPAC6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one
SMILESCc1nc2ccc(O)c(Sc3ccncc3)c2c(=O)[nH]1
InChIInChI=1S/C14H11N3O2S/c1-8-16-10-2-3-11(18)13(12(10)14(19)17-8)20-9-4-6-15-7-5-9/h2-7,18H,1H3,(H,16,17,19)
InChIKeyMSGROYGVIQQFGI-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.48
Rot. Bonds2

About 6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one

6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one (PubChem CID 135412767) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one
PubChem CID135412767
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one
SMILESCc1nc2ccc(O)c(Sc3ccncc3)c2c(=O)[nH]1
InChIInChI=1S/C14H11N3O2S/c1-8-16-10-2-3-11(18)13(12(10)14(19)17-8)20-9-4-6-15-7-5-9/h2-7,18H,1H3,(H,16,17,19)
InChIKeyMSGROYGVIQQFGI-UHFFFAOYSA-N
XLogP2.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Hydroxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557477
6-Methoxy-2-methyl-5-(pyridin-4-ylsulfanyl)-3H-quinazolin-4-one
CID 135524511
2-(3-Pyridyl)quinazoline-4,6-diol
CID 135999602
2-hydroxy-11-oxo-N-(6-pyridin-3-ylhexyl)pyrido[2,1-b]quinazoline-8-carboxamide
CID 13557488
(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide
CID 23313645
3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide
CID 54075973
actinium;6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one
CID 135999601
6-hydroxy-2-thieno[3,2-c]pyridin-6-yl-3H-quinazolin-4-one
CID 146333407
2-(6-hydroxy-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(pyridin-4-yl)acetamide
CID 60178681
5-Hydroxy-2-[(2-pyridin-4-ylsulfanylacetyl)amino]benzoic acid
CID 61406296
2-(6-hydroxy-2-methyl-4-oxoquinazolin-3(4H)-yl)-N-(pyridin-3-yl)acetamide
CID 71754172
2-amino-5-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 113913406

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one?
The IUPAC name of 6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one (CID 135412767) is 6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one is Cc1nc2ccc(O)c(Sc3ccncc3)c2c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one?
The InChIKey is MSGROYGVIQQFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-8-16-10-2-3-11(18)13(12(10)14(19)17-8)20-9-4-6-15-7-5-9/h2-7,18H,1H3,(H,16,17,19).
What are the key properties of 6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one?
6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one has a molecular weight of 285.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 135412767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).