4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide

C20H17F3N4O3 — CID 153158267

IUPAC4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-8-4-3-7-15(16)25-19(28)17-24-14-6-2-1-5-13(14)18(26-17)27-9-11-29-12-10-27/h1-8H,9-12H2,(H,25,28)
InChIKeyWBVIGFOBLVOOFB-UHFFFAOYSA-N
MW418.38 g/mol
LogP3.62
Rot. Bonds4

About 4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide

4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide (PubChem CID 153158267) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide
PubChem CID153158267
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-8-4-3-7-15(16)25-19(28)17-24-14-6-2-1-5-13(14)18(26-17)27-9-11-29-12-10-27/h1-8H,9-12H2,(H,25,28)
InChIKeyWBVIGFOBLVOOFB-UHFFFAOYSA-N
XLogP3.62
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide?
The IUPAC name of 4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide (CID 153158267) is 4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)c1nc(N2CCOCC2)c2ccccc2n1.
What is the InChIKey of 4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide?
The InChIKey is WBVIGFOBLVOOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-8-4-3-7-15(16)25-19(28)17-24-14-6-2-1-5-13(14)18(26-17)27-9-11-29-12-10-27/h1-8H,9-12H2,(H,25,28).
What are the key properties of 4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide?
4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[2-(trifluoromethoxy)phenyl]quinazoline-2-carboxamide is sourced from PubChem (CID 153158267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).