3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one

C18H15N3O3S — CID 17425100

IUPAC3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
SMILESCc1cccc(-n2c(SC3CCOC3=O)nc3ccccc3c2=O)n1
InChIInChI=1S/C18H15N3O3S/c1-11-5-4-8-15(19-11)21-16(22)12-6-2-3-7-13(12)20-18(21)25-14-9-10-24-17(14)23/h2-8,14H,9-10H2,1H3
InChIKeyZPAODLHEMOIZMN-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.50
Rot. Bonds3

About 3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one

3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one (PubChem CID 17425100) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
PubChem CID17425100
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
SMILESCc1cccc(-n2c(SC3CCOC3=O)nc3ccccc3c2=O)n1
InChIInChI=1S/C18H15N3O3S/c1-11-5-4-8-15(19-11)21-16(22)12-6-2-3-7-13(12)20-18(21)25-14-9-10-24-17(14)23/h2-8,14H,9-10H2,1H3
InChIKeyZPAODLHEMOIZMN-UHFFFAOYSA-N
XLogP2.50
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 23826057
3-(4-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 42884625
3-(2,3-dimethylphenyl)-2-[(3R)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
CID 7419018
3-(3-chloro-2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 23936645
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 4845825
2-[(3R)-2-oxooxolan-3-yl]sulfanyl-3-prop-2-enylquinazolin-4-one
CID 9407521
7-chloro-3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 4782908
(3R)-3-(2-methylquinazolin-4-yl)sulfanyloxolan-2-one
CID 7145391
3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one
CID 42898564
7-chloro-3-(4-methylphenyl)-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one
CID 2081713
N-(1-cyclopropylethyl)-2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 17412616
(3S)-3-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyloxolan-2-one
CID 7041360

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one?
The IUPAC name of 3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one (CID 17425100) is 3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one is Cc1cccc(-n2c(SC3CCOC3=O)nc3ccccc3c2=O)n1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one?
The InChIKey is ZPAODLHEMOIZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-11-5-4-8-15(19-11)21-16(22)12-6-2-3-7-13(12)20-18(21)25-14-9-10-24-17(14)23/h2-8,14H,9-10H2,1H3.
What are the key properties of 3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one?
3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one has a molecular weight of 353.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one is sourced from PubChem (CID 17425100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).