N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C26H21F3N6O — CID 20626379

IUPACN-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cccc(N3CCOCC3)c2n1
InChIInChI=1S/C26H21F3N6O/c27-26(28,29)19-9-3-1-6-16(19)23-30-22-18(8-5-11-21(22)35-12-14-36-15-13-35)24(31-23)32-25-17-7-2-4-10-20(17)33-34-25/h1-11H,12-15H2,(H2,30,31,32,33,34)
InChIKeyAZCYPLNRQOWQBC-UHFFFAOYSA-N
MW490.49 g/mol
LogP5.77
Rot. Bonds4

About N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 20626379) has the molecular formula C26H21F3N6O and a molecular weight of 490.49 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID20626379
Molecular FormulaC26H21F3N6O
Molecular Weight490.49 g/mol
Exact Mass490.17
IUPAC NameN-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cccc(N3CCOCC3)c2n1
InChIInChI=1S/C26H21F3N6O/c27-26(28,29)19-9-3-1-6-16(19)23-30-22-18(8-5-11-21(22)35-12-14-36-15-13-35)24(31-23)32-25-17-7-2-4-10-20(17)33-34-25/h1-11H,12-15H2,(H2,30,31,32,33,34)
InChIKeyAZCYPLNRQOWQBC-UHFFFAOYSA-N
XLogP5.77
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.49
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 20626379) is N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cccc(N3CCOCC3)c2n1.
What is the InChIKey of N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is AZCYPLNRQOWQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O/c27-26(28,29)19-9-3-1-6-16(19)23-30-22-18(8-5-11-21(22)35-12-14-36-15-13-35)24(31-23)32-25-17-7-2-4-10-20(17)33-34-25/h1-11H,12-15H2,(H2,30,31,32,33,34).
What are the key properties of N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 490.49 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 20626379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).