2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline

C21H15F2N3O — CID 67688890

IUPAC2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCOc1cc(F)c(F)cc1-c1nc(-c2ncc3ccccc3n2)ccc1C
InChIInChI=1S/C21H15F2N3O/c1-12-7-8-18(21-24-11-13-5-3-4-6-17(13)26-21)25-20(12)14-9-15(22)16(23)10-19(14)27-2/h3-11H,1-2H3
InChIKeyWILVOIKJILXNEU-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.95
Rot. Bonds3

About 2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline

2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline (PubChem CID 67688890) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
PubChem CID67688890
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCOc1cc(F)c(F)cc1-c1nc(-c2ncc3ccccc3n2)ccc1C
InChIInChI=1S/C21H15F2N3O/c1-12-7-8-18(21-24-11-13-5-3-4-6-17(13)26-21)25-20(12)14-9-15(22)16(23)10-19(14)27-2/h3-11H,1-2H3
InChIKeyWILVOIKJILXNEU-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 2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline (CID 67688890) is 2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline is COc1cc(F)c(F)cc1-c1nc(-c2ncc3ccccc3n2)ccc1C.
What is the InChIKey of 2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
The InChIKey is WILVOIKJILXNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O/c1-12-7-8-18(21-24-11-13-5-3-4-6-17(13)26-21)25-20(12)14-9-15(22)16(23)10-19(14)27-2/h3-11H,1-2H3.
What are the key properties of 2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline?
2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline 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 2-[6-(4,5-difluoro-2-methoxyphenyl)-5-methyl-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).