2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline

C26H16F3N3O — CID 13001026

IUPAC2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline
SMILESFC(F)(F)c1cccc(-c2ccccn2)c1Oc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H16F3N3O/c27-26(28,29)20-13-8-12-18(21-14-6-7-16-30-21)23(20)33-25-19-11-4-5-15-22(19)31-24(32-25)17-9-2-1-3-10-17/h1-16H
InChIKeyCRUAYOVFKBSJFN-UHFFFAOYSA-N
MW443.43 g/mol
LogP7.17
Rot. Bonds4

About 2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline

2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline (PubChem CID 13001026) has the molecular formula C26H16F3N3O and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline.

Molecular Properties

Compound Name2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline
PubChem CID13001026
Molecular FormulaC26H16F3N3O
Molecular Weight443.43 g/mol
Exact Mass443.12
IUPAC Name2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline
SMILESFC(F)(F)c1cccc(-c2ccccn2)c1Oc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H16F3N3O/c27-26(28,29)20-13-8-12-18(21-14-6-7-16-30-21)23(20)33-25-19-11-4-5-15-22(19)31-24(32-25)17-9-2-1-3-10-17/h1-16H
InChIKeyCRUAYOVFKBSJFN-UHFFFAOYSA-N
XLogP7.17
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.43
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 9976219
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinazolin-2-amine
CID 10068521
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10316876
5-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10338944
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10384316
2-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10406635
5-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10406636
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)isoquinoline
CID 10429017
7-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10429018
4-(2-(4-(4-[18F]Fluoro-butyl)-phenyl)ethoxy) quinazoline
CID 11151464
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16747960
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline?
The IUPAC name of 2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline (CID 13001026) is 2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline.
What is the SMILES notation for 2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline?
The canonical SMILES for 2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline is FC(F)(F)c1cccc(-c2ccccn2)c1Oc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline?
The InChIKey is CRUAYOVFKBSJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F3N3O/c27-26(28,29)20-13-8-12-18(21-14-6-7-16-30-21)23(20)33-25-19-11-4-5-15-22(19)31-24(32-25)17-9-2-1-3-10-17/h1-16H.
What are the key properties of 2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline?
2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline has a molecular weight of 443.43 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[2-pyridin-2-yl-6-(trifluoromethyl)phenoxy]quinazoline is sourced from PubChem (CID 13001026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).