6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide

C24H25F3N4O3 — CID 157415397

IUPAC6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide
SMILESNC(=O)c1cc(OCCN2CCOCC2)cc2c(CCc3ccc(C(F)(F)F)cc3)ncnc12
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)17-4-1-16(2-5-17)3-6-21-19-13-18(34-12-9-31-7-10-33-11-8-31)14-20(23(28)32)22(19)30-15-29-21/h1-2,4-5,13-15H,3,6-12H2,(H2,28,32)
InChIKeyBOUAUZROODWBOP-UHFFFAOYSA-N
MW474.48 g/mol
LogP3.24
Rot. Bonds8

About 6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide

6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide (PubChem CID 157415397) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide.

Molecular Properties

Compound Name6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide
PubChem CID157415397
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide
SMILESNC(=O)c1cc(OCCN2CCOCC2)cc2c(CCc3ccc(C(F)(F)F)cc3)ncnc12
InChIInChI=1S/C24H25F3N4O3/c25-24(26,27)17-4-1-16(2-5-17)3-6-21-19-13-18(34-12-9-31-7-10-33-11-8-31)14-20(23(28)32)22(19)30-15-29-21/h1-2,4-5,13-15H,3,6-12H2,(H2,28,32)
InChIKeyBOUAUZROODWBOP-UHFFFAOYSA-N
XLogP3.24
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide?
The IUPAC name of 6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide (CID 157415397) is 6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide.
What is the SMILES notation for 6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide?
The canonical SMILES for 6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide is NC(=O)c1cc(OCCN2CCOCC2)cc2c(CCc3ccc(C(F)(F)F)cc3)ncnc12.
What is the InChIKey of 6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide?
The InChIKey is BOUAUZROODWBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c25-24(26,27)17-4-1-16(2-5-17)3-6-21-19-13-18(34-12-9-31-7-10-33-11-8-31)14-20(23(28)32)22(19)30-15-29-21/h1-2,4-5,13-15H,3,6-12H2,(H2,28,32).
What are the key properties of 6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide?
6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide has a molecular weight of 474.48 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-morpholin-4-ylethoxy)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]quinazoline-8-carboxamide is sourced from PubChem (CID 157415397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).