5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine

C23H17F5N4O — CID 46183921

IUPAC5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine
SMILESCC(CNc1ncnc2c(F)ccc(F)c12)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C23H17F5N4O/c1-13(11-30-22-20-17(24)6-7-18(25)21(20)31-12-32-22)14-2-4-16(5-3-14)33-19-10-15(8-9-29-19)23(26,27)28/h2-10,12-13H,11H2,1H3,(H,30,31,32)
InChIKeyQFAVREHYEUIWFP-UHFFFAOYSA-N
MW460.41 g/mol
LogP6.33
Rot. Bonds6

About 5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine

5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine (PubChem CID 46183921) has the molecular formula C23H17F5N4O and a molecular weight of 460.41 g/mol. Its IUPAC name is 5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine.

Molecular Properties

Compound Name5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine
PubChem CID46183921
Molecular FormulaC23H17F5N4O
Molecular Weight460.41 g/mol
Exact Mass460.13
IUPAC Name5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine
SMILESCC(CNc1ncnc2c(F)ccc(F)c12)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1
InChIInChI=1S/C23H17F5N4O/c1-13(11-30-22-20-17(24)6-7-18(25)21(20)31-12-32-22)14-2-4-16(5-3-14)33-19-10-15(8-9-29-19)23(26,27)28/h2-10,12-13H,11H2,1H3,(H,30,31,32)
InChIKeyQFAVREHYEUIWFP-UHFFFAOYSA-N
XLogP6.33
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.41
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine?
The IUPAC name of 5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine (CID 46183921) is 5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine.
What is the SMILES notation for 5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine?
The canonical SMILES for 5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine is CC(CNc1ncnc2c(F)ccc(F)c12)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1.
What is the InChIKey of 5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine?
The InChIKey is QFAVREHYEUIWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F5N4O/c1-13(11-30-22-20-17(24)6-7-18(25)21(20)31-12-32-22)14-2-4-16(5-3-14)33-19-10-15(8-9-29-19)23(26,27)28/h2-10,12-13H,11H2,1H3,(H,30,31,32).
What are the key properties of 5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine?
5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine has a molecular weight of 460.41 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-N-[2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propyl]quinazolin-4-amine is sourced from PubChem (CID 46183921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).