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

C21H14F3N3O — CID 175809900

IUPACN-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1Oc1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)17-6-2-4-8-19(17)28-15-11-9-14(10-12-15)27-20-16-5-1-3-7-18(16)25-13-26-20/h1-13H,(H,25,26,27)
InChIKeyDPCMMOPLIOFKEZ-UHFFFAOYSA-N
MW381.36 g/mol
LogP6.18
Rot. Bonds4

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

N-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine (PubChem CID 175809900) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is N-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
PubChem CID175809900
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC NameN-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1Oc1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)17-6-2-4-8-19(17)28-15-11-9-14(10-12-15)27-20-16-5-1-3-7-18(16)25-13-26-20/h1-13H,(H,25,26,27)
InChIKeyDPCMMOPLIOFKEZ-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-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
CID 163201617
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 16875676
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396
N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 155924843
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
CID 155924465
N-naphthalen-2-ylquinazolin-4-amine
CID 110434772
N-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 163201890
N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine
CID 141045085
tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane
CID 87300130
6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54010523
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The IUPAC name of N-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine (CID 175809900) is N-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The canonical SMILES for N-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine is FC(F)(F)c1ccccc1Oc1ccc(Nc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The InChIKey is DPCMMOPLIOFKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c22-21(23,24)17-6-2-4-8-19(17)28-15-11-9-14(10-12-15)27-20-16-5-1-3-7-18(16)25-13-26-20/h1-13H,(H,25,26,27).
What are the key properties of N-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
N-[4-[2-(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-[4-[2-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 175809900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).