2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline

C20H13F2N3 — CID 67688535

IUPAC2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1-c1cc(F)ccc1F
InChIInChI=1S/C20H13F2N3/c1-12-6-9-18(20-23-11-13-4-2-3-5-17(13)25-20)24-19(12)15-10-14(21)7-8-16(15)22/h2-11H,1H3
InChIKeyZKIFUHKIMZKWOF-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.95
Rot. Bonds2

About 2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline

2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline (PubChem CID 67688535) has the molecular formula C20H13F2N3 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline
PubChem CID67688535
Molecular FormulaC20H13F2N3
Molecular Weight333.34 g/mol
Exact Mass333.11
IUPAC Name2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1-c1cc(F)ccc1F
InChIInChI=1S/C20H13F2N3/c1-12-6-9-18(20-23-11-13-4-2-3-5-17(13)25-20)24-19(12)15-10-14(21)7-8-16(15)22/h2-11H,1H3
InChIKeyZKIFUHKIMZKWOF-UHFFFAOYSA-N
XLogP4.95
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline (CID 67688535) is 2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline is Cc1ccc(-c2ncc3ccccc3n2)nc1-c1cc(F)ccc1F.
What is the InChIKey of 2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline?
The InChIKey is ZKIFUHKIMZKWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3/c1-12-6-9-18(20-23-11-13-4-2-3-5-17(13)25-20)24-19(12)15-10-14(21)7-8-16(15)22/h2-11H,1H3.
What are the key properties of 2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline?
2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline has a molecular weight of 333.34 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-difluorophenyl)-5-methyl-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).