6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline

C21H15FN4 — CID 71544447

IUPAC6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline
SMILESCc1nc(C#Cc2nc(-c3ccccc3)cn2C)nc2ccc(F)cc12
InChIInChI=1S/C21H15FN4/c1-14-17-12-16(22)8-9-18(17)24-20(23-14)10-11-21-25-19(13-26(21)2)15-6-4-3-5-7-15/h3-9,12-13H,1-2H3
InChIKeyLOIBPFJKLYCTEJ-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.88
Rot. Bonds1

About 6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline

6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline (PubChem CID 71544447) has the molecular formula C21H15FN4 and a molecular weight of 342.38 g/mol. Its IUPAC name is 6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline.

Molecular Properties

Compound Name6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline
PubChem CID71544447
Molecular FormulaC21H15FN4
Molecular Weight342.38 g/mol
Exact Mass342.13
IUPAC Name6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline
SMILESCc1nc(C#Cc2nc(-c3ccccc3)cn2C)nc2ccc(F)cc12
InChIInChI=1S/C21H15FN4/c1-14-17-12-16(22)8-9-18(17)24-20(23-14)10-11-21-25-19(13-26(21)2)15-6-4-3-5-7-15/h3-9,12-13H,1-2H3
InChIKeyLOIBPFJKLYCTEJ-UHFFFAOYSA-N
XLogP3.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline?
The IUPAC name of 6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline (CID 71544447) is 6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline.
What is the SMILES notation for 6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline?
The canonical SMILES for 6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline is Cc1nc(C#Cc2nc(-c3ccccc3)cn2C)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline?
The InChIKey is LOIBPFJKLYCTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4/c1-14-17-12-16(22)8-9-18(17)24-20(23-14)10-11-21-25-19(13-26(21)2)15-6-4-3-5-7-15/h3-9,12-13H,1-2H3.
What are the key properties of 6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline?
6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline has a molecular weight of 342.38 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]quinazoline is sourced from PubChem (CID 71544447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).