6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline

C20H12F3N3O — CID 167082968

IUPAC6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline
SMILESFC(F)(F)c1cccc(Oc2ccc(-c3ccc4ncncc4c3)cn2)c1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)16-2-1-3-17(9-16)27-19-7-5-14(11-25-19)13-4-6-18-15(8-13)10-24-12-26-18/h1-12H
InChIKeyJPNVINVBSIQEDV-UHFFFAOYSA-N
MW367.33 g/mol
LogP5.50
Rot. Bonds3

About 6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline

6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline (PubChem CID 167082968) has the molecular formula C20H12F3N3O and a molecular weight of 367.33 g/mol. Its IUPAC name is 6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline.

Molecular Properties

Compound Name6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline
PubChem CID167082968
Molecular FormulaC20H12F3N3O
Molecular Weight367.33 g/mol
Exact Mass367.09
IUPAC Name6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline
SMILESFC(F)(F)c1cccc(Oc2ccc(-c3ccc4ncncc4c3)cn2)c1
InChIInChI=1S/C20H12F3N3O/c21-20(22,23)16-2-1-3-17(9-16)27-19-7-5-14(11-25-19)13-4-6-18-15(8-13)10-24-12-26-18/h1-12H
InChIKeyJPNVINVBSIQEDV-UHFFFAOYSA-N
XLogP5.50
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.33
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
CID 15790812
(E)-2-methyl-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 170873343
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
(2R)-2-bromo-N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 7004327
2-[hydroxy-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methylidene]cyclohexane-1,3-dione
CID 171714296
3-amino-3-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]propan-1-ol
CID 170875003
6-[3-(trifluoromethyl)phenoxy]pyridazin-3-amine
CID 14294275
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
5-oxo-5-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]amino]pentanoic acid
CID 2814195

Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline?
The IUPAC name of 6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline (CID 167082968) is 6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline.
What is the SMILES notation for 6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline?
The canonical SMILES for 6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline is FC(F)(F)c1cccc(Oc2ccc(-c3ccc4ncncc4c3)cn2)c1.
What is the InChIKey of 6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline?
The InChIKey is JPNVINVBSIQEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O/c21-20(22,23)16-2-1-3-17(9-16)27-19-7-5-14(11-25-19)13-4-6-18-15(8-13)10-24-12-26-18/h1-12H.
What are the key properties of 6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline?
6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline has a molecular weight of 367.33 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]quinazoline is sourced from PubChem (CID 167082968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).