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

C22H16F3N3O — CID 155924465

IUPAC7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
SMILESCc1ccc2c(Nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)ncnc2c1
InChIInChI=1S/C22H16F3N3O/c1-14-2-11-19-20(12-14)26-13-27-21(19)28-16-5-9-18(10-6-16)29-17-7-3-15(4-8-17)22(23,24)25/h2-13H,1H3,(H,26,27,28)
InChIKeyDNOZTGJGEDJKHK-UHFFFAOYSA-N
MW395.38 g/mol
LogP6.49
Rot. Bonds4

About 7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine

7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine (PubChem CID 155924465) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
PubChem CID155924465
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine
SMILESCc1ccc2c(Nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)ncnc2c1
InChIInChI=1S/C22H16F3N3O/c1-14-2-11-19-20(12-14)26-13-27-21(19)28-16-5-9-18(10-6-16)29-17-7-3-15(4-8-17)22(23,24)25/h2-13H,1H3,(H,26,27,28)
InChIKeyDNOZTGJGEDJKHK-UHFFFAOYSA-N
XLogP6.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The IUPAC name of 7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine (CID 155924465) is 7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine.
What is the SMILES notation for 7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The canonical SMILES for 7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine is Cc1ccc2c(Nc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)ncnc2c1.
What is the InChIKey of 7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
The InChIKey is DNOZTGJGEDJKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c1-14-2-11-19-20(12-14)26-13-27-21(19)28-16-5-9-18(10-6-16)29-17-7-3-15(4-8-17)22(23,24)25/h2-13H,1H3,(H,26,27,28).
What are the key properties of 7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine?
7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine has a molecular weight of 395.38 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinazolin-4-amine is sourced from PubChem (CID 155924465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).