N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C23H13F6N5 — CID 10116278

IUPACN-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cccc(C(F)(F)F)c23)c2ccccc2n1
InChIInChI=1S/C23H13F6N5/c24-22(25,26)14-8-3-1-6-12(14)19-30-16-10-4-2-7-13(16)20(31-19)32-21-18-15(23(27,28)29)9-5-11-17(18)33-34-21/h1-11H,(H2,30,31,32,33,34)
InChIKeyFRSFHTMGTYQXOM-UHFFFAOYSA-N
MW473.38 g/mol
LogP6.95
Rot. Bonds3

About N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 10116278) has the molecular formula C23H13F6N5 and a molecular weight of 473.38 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID10116278
Molecular FormulaC23H13F6N5
Molecular Weight473.38 g/mol
Exact Mass473.11
IUPAC NameN-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cccc(C(F)(F)F)c23)c2ccccc2n1
InChIInChI=1S/C23H13F6N5/c24-22(25,26)14-8-3-1-6-12(14)19-30-16-10-4-2-7-13(16)20(31-19)32-21-18-15(23(27,28)29)9-5-11-17(18)33-34-21/h1-11H,(H2,30,31,32,33,34)
InChIKeyFRSFHTMGTYQXOM-UHFFFAOYSA-N
XLogP6.95
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.38
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 10116278) is N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3cccc(C(F)(F)F)c23)c2ccccc2n1.
What is the InChIKey of N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is FRSFHTMGTYQXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F6N5/c24-22(25,26)14-8-3-1-6-12(14)19-30-16-10-4-2-7-13(16)20(31-19)32-21-18-15(23(27,28)29)9-5-11-17(18)33-34-21/h1-11H,(H2,30,31,32,33,34).
What are the key properties of N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 473.38 g/mol, XLogP of 6.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10116278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).