2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol

C22H16F3N3O — CID 142747576

IUPAC2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(NCc2ccc(C(F)(F)F)cc2)c2ccccc2n1
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)15-11-9-14(10-12-15)13-26-20-16-5-1-3-7-18(16)27-21(28-20)17-6-2-4-8-19(17)29/h1-12,29H,13H2,(H,26,27,28)
InChIKeyMQMIJXBRVBUAPD-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.63
Rot. Bonds4

About 2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol

2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol (PubChem CID 142747576) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol
PubChem CID142747576
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(NCc2ccc(C(F)(F)F)cc2)c2ccccc2n1
InChIInChI=1S/C22H16F3N3O/c23-22(24,25)15-11-9-14(10-12-15)13-26-20-16-5-1-3-7-18(16)27-21(28-20)17-6-2-4-8-19(17)29/h1-12,29H,13H2,(H,26,27,28)
InChIKeyMQMIJXBRVBUAPD-UHFFFAOYSA-N
XLogP5.63
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-pyridin-4-ylphenyl)methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898222
2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 46086055
2-[4-[(1-amino-2-methylpropan-2-yl)amino]quinazolin-2-yl]phenol
CID 135874563
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 171594927
2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol
CID 135597702
N-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898197
N-[[4-(1,3-benzodioxol-5-yl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 50898195
N-benzyl-2-[2-[(dimethylamino)methyl]phenyl]quinazolin-4-amine
CID 3233234
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine
CID 172698889
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
2-[3-bromo-7-[[4-(trifluoromethyl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]phenol
CID 142871354

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol (CID 142747576) is 2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol is Oc1ccccc1-c1nc(NCc2ccc(C(F)(F)F)cc2)c2ccccc2n1.
What is the InChIKey of 2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol?
The InChIKey is MQMIJXBRVBUAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c23-22(24,25)15-11-9-14(10-12-15)13-26-20-16-5-1-3-7-18(16)27-21(28-20)17-6-2-4-8-19(17)29/h1-12,29H,13H2,(H,26,27,28).
What are the key properties of 2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol?
2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol has a molecular weight of 395.38 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol is sourced from PubChem (CID 142747576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).