2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline

C20H12F3N3 — CID 67689032

IUPAC2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline
SMILESFc1cc(F)c(F)c(Cc2cccc(-c3ncc4ccccc4n3)n2)c1
InChIInChI=1S/C20H12F3N3/c21-14-8-13(19(23)16(22)10-14)9-15-5-3-7-18(25-15)20-24-11-12-4-1-2-6-17(12)26-20/h1-8,10-11H,9H2
InChIKeyRRROTBKDSNXYCN-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.70
Rot. Bonds3

About 2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline

2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline (PubChem CID 67689032) has the molecular formula C20H12F3N3 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline
PubChem CID67689032
Molecular FormulaC20H12F3N3
Molecular Weight351.33 g/mol
Exact Mass351.10
IUPAC Name2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline
SMILESFc1cc(F)c(F)c(Cc2cccc(-c3ncc4ccccc4n3)n2)c1
InChIInChI=1S/C20H12F3N3/c21-14-8-13(19(23)16(22)10-14)9-15-5-3-7-18(25-15)20-24-11-12-4-1-2-6-17(12)26-20/h1-8,10-11H,9H2
InChIKeyRRROTBKDSNXYCN-UHFFFAOYSA-N
XLogP4.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline (CID 67689032) is 2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline is Fc1cc(F)c(F)c(Cc2cccc(-c3ncc4ccccc4n3)n2)c1.
What is the InChIKey of 2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline?
The InChIKey is RRROTBKDSNXYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3/c21-14-8-13(19(23)16(22)10-14)9-15-5-3-7-18(25-15)20-24-11-12-4-1-2-6-17(12)26-20/h1-8,10-11H,9H2.
What are the key properties of 2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline?
2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline has a molecular weight of 351.33 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2,3,5-trifluorophenyl)methyl]-2-pyridinyl]quinazoline is sourced from PubChem (CID 67689032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).