8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

C26H22F3N3O2 — CID 137109010

IUPAC8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESCc1c(N2CCOCC2)ccc2c(=O)[nH]c(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12
InChIInChI=1S/C26H22F3N3O2/c1-16-22(32-9-11-34-12-10-32)8-7-21-23(16)30-24(31-25(21)33)19-13-18(17-5-3-2-4-6-17)14-20(15-19)26(27,28)29/h2-8,13-15H,9-12H2,1H3,(H,30,31,33)
InChIKeyGKUAZEMTKNIRIL-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.42
Rot. Bonds3

About 8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one

8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (PubChem CID 137109010) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
PubChem CID137109010
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC Name8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
SMILESCc1c(N2CCOCC2)ccc2c(=O)[nH]c(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12
InChIInChI=1S/C26H22F3N3O2/c1-16-22(32-9-11-34-12-10-32)8-7-21-23(16)30-24(31-25(21)33)19-13-18(17-5-3-2-4-6-17)14-20(15-19)26(27,28)29/h2-8,13-15H,9-12H2,1H3,(H,30,31,33)
InChIKeyGKUAZEMTKNIRIL-UHFFFAOYSA-N
XLogP5.42
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one (CID 137109010) is 8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is Cc1c(N2CCOCC2)ccc2c(=O)[nH]c(-c3cc(-c4ccccc4)cc(C(F)(F)F)c3)nc12.
What is the InChIKey of 8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is GKUAZEMTKNIRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c1-16-22(32-9-11-34-12-10-32)8-7-21-23(16)30-24(31-25(21)33)19-13-18(17-5-3-2-4-6-17)14-20(15-19)26(27,28)29/h2-8,13-15H,9-12H2,1H3,(H,30,31,33).
What are the key properties of 8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one?
8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 465.48 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-morpholin-4-yl-2-[3-phenyl-5-(trifluoromethyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137109010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).