6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline

C15H13N3O2S — CID 2808855

IUPAC6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline
SMILESCOc1cc2ncnc(Sc3ccccn3)c2cc1OC
InChIInChI=1S/C15H13N3O2S/c1-19-12-7-10-11(8-13(12)20-2)17-9-18-15(10)21-14-5-3-4-6-16-14/h3-9H,1-2H3
InChIKeyVTKWUTIZYSZOMT-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.19
Rot. Bonds4

About 6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline

6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline (PubChem CID 2808855) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline
PubChem CID2808855
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline
SMILESCOc1cc2ncnc(Sc3ccccn3)c2cc1OC
InChIInChI=1S/C15H13N3O2S/c1-19-12-7-10-11(8-13(12)20-2)17-9-18-15(10)21-14-5-3-4-6-16-14/h3-9H,1-2H3
InChIKeyVTKWUTIZYSZOMT-UHFFFAOYSA-N
XLogP3.19
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-4-phenylsulfanylquinazoline
CID 141248835
6-bromo-4-pyridin-2-ylsulfanylquinazoline
CID 21002564
2-(6,7-dimethoxyquinazolin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 71461003
6,7-dimethoxy-4-methylquinazoline
CID 4319422
methane;4,6,7-trimethoxyquinoline
CID 157066291
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
5-methoxy-1,7-phenanthroline
CID 67576947
6,7-dimethoxy-4-pyrrol-1-ylquinazoline
CID 141163176
2-[6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]sulfanyl-1,3-thiazole
CID 57413470
2-(7-fluoro-6-methoxyquinazolin-4-yl)sulfanyl-4-methyl-1,3-thiazole
CID 133475513
4-(6,7-dimethoxyquinazolin-4-yl)sulfanylbutylphosphonic acid
CID 163399387
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline?
The IUPAC name of 6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline (CID 2808855) is 6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline?
The canonical SMILES for 6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline is COc1cc2ncnc(Sc3ccccn3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline?
The InChIKey is VTKWUTIZYSZOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-19-12-7-10-11(8-13(12)20-2)17-9-18-15(10)21-14-5-3-4-6-16-14/h3-9H,1-2H3.
What are the key properties of 6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline?
6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline has a molecular weight of 299.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-pyridin-2-ylsulfanylquinazoline is sourced from PubChem (CID 2808855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).