2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

C19H23F3N4O5 — CID 3627984

IUPAC2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1cc2nc(CN3CCOCC3)n(CC(=O)NCC(F)(F)F)c(=O)c2cc1OC
InChIInChI=1S/C19H23F3N4O5/c1-29-14-7-12-13(8-15(14)30-2)24-16(9-25-3-5-31-6-4-25)26(18(12)28)10-17(27)23-11-19(20,21)22/h7-8H,3-6,9-11H2,1-2H3,(H,23,27)
InChIKeyXEPARFSMZMIHHU-UHFFFAOYSA-N
MW444.41 g/mol
LogP0.92
Rot. Bonds7

About 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 3627984) has the molecular formula C19H23F3N4O5 and a molecular weight of 444.41 g/mol. Its IUPAC name is 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID3627984
Molecular FormulaC19H23F3N4O5
Molecular Weight444.41 g/mol
Exact Mass444.16
IUPAC Name2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1cc2nc(CN3CCOCC3)n(CC(=O)NCC(F)(F)F)c(=O)c2cc1OC
InChIInChI=1S/C19H23F3N4O5/c1-29-14-7-12-13(8-15(14)30-2)24-16(9-25-3-5-31-6-4-25)26(18(12)28)10-17(27)23-11-19(20,21)22/h7-8H,3-6,9-11H2,1-2H3,(H,23,27)
InChIKeyXEPARFSMZMIHHU-UHFFFAOYSA-N
XLogP0.92
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 3627984) is 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is COc1cc2nc(CN3CCOCC3)n(CC(=O)NCC(F)(F)F)c(=O)c2cc1OC.
What is the InChIKey of 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XEPARFSMZMIHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O5/c1-29-14-7-12-13(8-15(14)30-2)24-16(9-25-3-5-31-6-4-25)26(18(12)28)10-17(27)23-11-19(20,21)22/h7-8H,3-6,9-11H2,1-2H3,(H,23,27).
What are the key properties of 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 444.41 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 3627984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).