ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate

C16H16F3N3O3 — CID 22332790

IUPACethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCOCC3)c2c1
InChIInChI=1S/C16H16F3N3O3/c1-2-25-14(23)10-3-4-12-11(9-10)13(22-5-7-24-8-6-22)21-15(20-12)16(17,18)19/h3-4,9H,2,5-8H2,1H3
InChIKeyJXCSZJQMLQYPJO-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.66
Rot. Bonds3

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

ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate (PubChem CID 22332790) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate
PubChem CID22332790
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC Nameethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCOCC3)c2c1
InChIInChI=1S/C16H16F3N3O3/c1-2-25-14(23)10-3-4-12-11(9-10)13(22-5-7-24-8-6-22)21-15(20-12)16(17,18)19/h3-4,9H,2,5-8H2,1H3
InChIKeyJXCSZJQMLQYPJO-UHFFFAOYSA-N
XLogP2.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate?
The IUPAC name of ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate (CID 22332790) is ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate.
What is the SMILES notation for ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate?
The canonical SMILES for ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate is CCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCOCC3)c2c1.
What is the InChIKey of ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate?
The InChIKey is JXCSZJQMLQYPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-2-25-14(23)10-3-4-12-11(9-10)13(22-5-7-24-8-6-22)21-15(20-12)16(17,18)19/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate?
ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate has a molecular weight of 355.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-yl-2-(trifluoromethyl)quinazoline-6-carboxylate is sourced from PubChem (CID 22332790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).