ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate

C18H20F3N3O3 — CID 4684117

IUPACethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CC(C)OC(C)C3)c2c1
InChIInChI=1S/C18H20F3N3O3/c1-4-26-16(25)12-5-6-14-13(7-12)15(23-17(22-14)18(19,20)21)24-8-10(2)27-11(3)9-24/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyNAUMHRMQFYPLPI-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.44
Rot. Bonds3

About ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate

ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate (PubChem CID 4684117) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate
PubChem CID4684117
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Nameethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CC(C)OC(C)C3)c2c1
InChIInChI=1S/C18H20F3N3O3/c1-4-26-16(25)12-5-6-14-13(7-12)15(23-17(22-14)18(19,20)21)24-8-10(2)27-11(3)9-24/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyNAUMHRMQFYPLPI-UHFFFAOYSA-N
XLogP3.44
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate?
The IUPAC name of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate (CID 4684117) is ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate.
What is the SMILES notation for ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate?
The canonical SMILES for ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate is CCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CC(C)OC(C)C3)c2c1.
What is the InChIKey of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate?
The InChIKey is NAUMHRMQFYPLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-4-26-16(25)12-5-6-14-13(7-12)15(23-17(22-14)18(19,20)21)24-8-10(2)27-11(3)9-24/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate?
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate has a molecular weight of 383.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-(trifluoromethyl)quinazoline-6-carboxylate is sourced from PubChem (CID 4684117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).