2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline

C22H15N3 — CID 67685866

IUPAC2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1C#Cc1ccccc1
InChIInChI=1S/C22H15N3/c1-16-11-13-21(22-23-15-18-9-5-6-10-20(18)25-22)24-19(16)14-12-17-7-3-2-4-8-17/h2-11,13,15H,1H3
InChIKeyCYCQEWKZPLBYMH-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.40
Rot. Bonds1

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

2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline (PubChem CID 67685866) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline
PubChem CID67685866
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1C#Cc1ccccc1
InChIInChI=1S/C22H15N3/c1-16-11-13-21(22-23-15-18-9-5-6-10-20(18)25-22)24-19(16)14-12-17-7-3-2-4-8-17/h2-11,13,15H,1H3
InChIKeyCYCQEWKZPLBYMH-UHFFFAOYSA-N
XLogP4.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline?
The IUPAC name of 2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline (CID 67685866) is 2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline is Cc1ccc(-c2ncc3ccccc3n2)nc1C#Cc1ccccc1.
What is the InChIKey of 2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline?
The InChIKey is CYCQEWKZPLBYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3/c1-16-11-13-21(22-23-15-18-9-5-6-10-20(18)25-22)24-19(16)14-12-17-7-3-2-4-8-17/h2-11,13,15H,1H3.
What are the key properties of 2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline?
2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline has a molecular weight of 321.38 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(2-phenylethynyl)-2-pyridinyl]quinazoline is sourced from PubChem (CID 67685866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).