4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine

C21H20F3N3O3 — CID 24855236

IUPAC4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCOc1cc2ncnc(N3CCOC(c4ccc(C(F)(F)F)cc4)C3)c2cc1OC
InChIInChI=1S/C21H20F3N3O3/c1-28-17-9-15-16(10-18(17)29-2)25-12-26-20(15)27-7-8-30-19(11-27)13-3-5-14(6-4-13)21(22,23)24/h3-6,9-10,12,19H,7-8,11H2,1-2H3
InChIKeyXAIODTXFYVURIH-UHFFFAOYSA-N
MW419.40 g/mol
LogP4.24
Rot. Bonds4

About 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine

4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 24855236) has the molecular formula C21H20F3N3O3 and a molecular weight of 419.40 g/mol. Its IUPAC name is 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID24855236
Molecular FormulaC21H20F3N3O3
Molecular Weight419.40 g/mol
Exact Mass419.15
IUPAC Name4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCOc1cc2ncnc(N3CCOC(c4ccc(C(F)(F)F)cc4)C3)c2cc1OC
InChIInChI=1S/C21H20F3N3O3/c1-28-17-9-15-16(10-18(17)29-2)25-12-26-20(15)27-7-8-30-19(11-27)13-3-5-14(6-4-13)21(22,23)24/h3-6,9-10,12,19H,7-8,11H2,1-2H3
InChIKeyXAIODTXFYVURIH-UHFFFAOYSA-N
XLogP4.24
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine (CID 24855236) is 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine is COc1cc2ncnc(N3CCOC(c4ccc(C(F)(F)F)cc4)C3)c2cc1OC.
What is the InChIKey of 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is XAIODTXFYVURIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3/c1-28-17-9-15-16(10-18(17)29-2)25-12-26-20(15)27-7-8-30-19(11-27)13-3-5-14(6-4-13)21(22,23)24/h3-6,9-10,12,19H,7-8,11H2,1-2H3.
What are the key properties of 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine?
4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 419.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxyquinazolin-4-yl)-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 24855236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).