N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine

C21H14F3N3O — CID 163201617

IUPACN-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(Oc2ccccc2Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)14-9-11-15(12-10-14)28-19-8-4-3-7-18(19)27-20-16-5-1-2-6-17(16)25-13-26-20/h1-13H,(H,25,26,27)
InChIKeyHWGVPUSVKSTSFC-UHFFFAOYSA-N
MW381.36 g/mol
LogP6.18
Rot. Bonds4

About N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine

N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine (PubChem CID 163201617) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
PubChem CID163201617
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC NameN-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(Oc2ccccc2Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)14-9-11-15(12-10-14)28-19-8-4-3-7-18(19)27-20-16-5-1-2-6-17(16)25-13-26-20/h1-13H,(H,25,26,27)
InChIKeyHWGVPUSVKSTSFC-UHFFFAOYSA-N
XLogP6.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
CID 175809900
N-[2-iodo-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]quinazolin-4-amine
CID 54162273
N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 155924843
7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
CID 155924465
2-N-quinazolin-4-ylbenzene-1,2-diamine
CID 21190751
N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 163201890
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396
1-methyl-N-(2-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110875195
N-(2-ethoxyphenyl)-7-methoxyquinazolin-4-amine
CID 110434377
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine
CID 91641402
[4-[4-(trifluoromethyl)phenoxy]quinolin-2-yl]methanamine
CID 135373987
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The IUPAC name of N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine (CID 163201617) is N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The canonical SMILES for N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine is FC(F)(F)c1ccc(Oc2ccccc2Nc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The InChIKey is HWGVPUSVKSTSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c22-21(23,24)14-9-11-15(12-10-14)28-19-8-4-3-7-18(19)27-20-16-5-1-2-6-17(16)25-13-26-20/h1-13H,(H,25,26,27).
What are the key properties of N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine has a molecular weight of 381.36 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 163201617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).