6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline

C21H15F2N3 — CID 159998467

IUPAC6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline
SMILESCc1nc(-c2cccnc2)nc2ccc(-c3cc(F)cc(F)c3)c(C)c12
InChIInChI=1S/C21H15F2N3/c1-12-18(15-8-16(22)10-17(23)9-15)5-6-19-20(12)13(2)25-21(26-19)14-4-3-7-24-11-14/h3-11H,1-2H3
InChIKeyQZMMZVLHWLYHIS-UHFFFAOYSA-N
MW347.37 g/mol
LogP5.25
Rot. Bonds2

About 6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline

6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline (PubChem CID 159998467) has the molecular formula C21H15F2N3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline
PubChem CID159998467
Molecular FormulaC21H15F2N3
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline
SMILESCc1nc(-c2cccnc2)nc2ccc(-c3cc(F)cc(F)c3)c(C)c12
InChIInChI=1S/C21H15F2N3/c1-12-18(15-8-16(22)10-17(23)9-15)5-6-19-20(12)13(2)25-21(26-19)14-4-3-7-24-11-14/h3-11H,1-2H3
InChIKeyQZMMZVLHWLYHIS-UHFFFAOYSA-N
XLogP5.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline?
The IUPAC name of 6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline (CID 159998467) is 6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline?
The canonical SMILES for 6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline is Cc1nc(-c2cccnc2)nc2ccc(-c3cc(F)cc(F)c3)c(C)c12.
What is the InChIKey of 6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline?
The InChIKey is QZMMZVLHWLYHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3/c1-12-18(15-8-16(22)10-17(23)9-15)5-6-19-20(12)13(2)25-21(26-19)14-4-3-7-24-11-14/h3-11H,1-2H3.
What are the key properties of 6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline?
6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline has a molecular weight of 347.37 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 159998467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).