2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline

C21H14F3N3 — CID 67688678

IUPAC2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H14F3N3/c1-13-10-11-18(20-25-12-14-6-2-5-9-17(14)27-20)26-19(13)15-7-3-4-8-16(15)21(22,23)24/h2-12H,1H3
InChIKeyUTAALGCECFAKLA-UHFFFAOYSA-N
MW365.36 g/mol
LogP5.69
Rot. Bonds2

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

2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline (PubChem CID 67688678) has the molecular formula C21H14F3N3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline
PubChem CID67688678
Molecular FormulaC21H14F3N3
Molecular Weight365.36 g/mol
Exact Mass365.11
IUPAC Name2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline
SMILESCc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C21H14F3N3/c1-13-10-11-18(20-25-12-14-6-2-5-9-17(14)27-20)26-19(13)15-7-3-4-8-16(15)21(22,23)24/h2-12H,1H3
InChIKeyUTAALGCECFAKLA-UHFFFAOYSA-N
XLogP5.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.36
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline?
The IUPAC name of 2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline (CID 67688678) is 2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline is Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline?
The InChIKey is UTAALGCECFAKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3/c1-13-10-11-18(20-25-12-14-6-2-5-9-17(14)27-20)26-19(13)15-7-3-4-8-16(15)21(22,23)24/h2-12H,1H3.
What are the key properties of 2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline?
2-[5-methyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline has a molecular weight of 365.36 g/mol, XLogP of 5.69, 2 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-(trifluoromethyl)phenyl]-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).