6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline

C21H15F2N3O — CID 71179918

IUPAC6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline
SMILESCOc1cc(-c2cccc(F)c2F)cc2c(C)nc(-c3cccnc3)nc12
InChIInChI=1S/C21H15F2N3O/c1-12-16-9-14(15-6-3-7-17(22)19(15)23)10-18(27-2)20(16)26-21(25-12)13-5-4-8-24-11-13/h3-11H,1-2H3
InChIKeyUWBGLIZSPGTAIV-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.95
Rot. Bonds3

About 6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline

6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline (PubChem CID 71179918) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline
PubChem CID71179918
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline
SMILESCOc1cc(-c2cccc(F)c2F)cc2c(C)nc(-c3cccnc3)nc12
InChIInChI=1S/C21H15F2N3O/c1-12-16-9-14(15-6-3-7-17(22)19(15)23)10-18(27-2)20(16)26-21(25-12)13-5-4-8-24-11-13/h3-11H,1-2H3
InChIKeyUWBGLIZSPGTAIV-UHFFFAOYSA-N
XLogP4.95
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline?
The IUPAC name of 6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline (CID 71179918) is 6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline?
The canonical SMILES for 6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline is COc1cc(-c2cccc(F)c2F)cc2c(C)nc(-c3cccnc3)nc12.
What is the InChIKey of 6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline?
The InChIKey is UWBGLIZSPGTAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O/c1-12-16-9-14(15-6-3-7-17(22)19(15)23)10-18(27-2)20(16)26-21(25-12)13-5-4-8-24-11-13/h3-11H,1-2H3.
What are the key properties of 6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline?
6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline has a molecular weight of 363.37 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-8-methoxy-4-methyl-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 71179918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).