N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

C25H27F3N4O4 — CID 11627530

IUPACN-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESCc1cc(NCCN2CCOCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C25H27F3N4O4/c1-17-14-23(29-8-9-32-10-12-34-13-11-32)31-22-7-2-18(15-21(17)22)30-24(33)16-35-19-3-5-20(6-4-19)36-25(26,27)28/h2-7,14-15H,8-13,16H2,1H3,(H,29,31)(H,30,33)
InChIKeyVSCMFXUBMBBKGL-UHFFFAOYSA-N
MW504.51 g/mol
LogP4.20
Rot. Bonds9

About N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (PubChem CID 11627530) has the molecular formula C25H27F3N4O4 and a molecular weight of 504.51 g/mol. Its IUPAC name is N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
PubChem CID11627530
Molecular FormulaC25H27F3N4O4
Molecular Weight504.51 g/mol
Exact Mass504.20
IUPAC NameN-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
SMILESCc1cc(NCCN2CCOCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C25H27F3N4O4/c1-17-14-23(29-8-9-32-10-12-34-13-11-32)31-22-7-2-18(15-21(17)22)30-24(33)16-35-19-3-5-20(6-4-19)36-25(26,27)28/h2-7,14-15H,8-13,16H2,1H3,(H,29,31)(H,30,33)
InChIKeyVSCMFXUBMBBKGL-UHFFFAOYSA-N
XLogP4.20
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The IUPAC name of N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide (CID 11627530) is N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide.
What is the SMILES notation for N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The canonical SMILES for N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is Cc1cc(NCCN2CCOCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12.
What is the InChIKey of N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
The InChIKey is VSCMFXUBMBBKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O4/c1-17-14-23(29-8-9-32-10-12-34-13-11-32)31-22-7-2-18(15-21(17)22)30-24(33)16-35-19-3-5-20(6-4-19)36-25(26,27)28/h2-7,14-15H,8-13,16H2,1H3,(H,29,31)(H,30,33).
What are the key properties of N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide?
N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide has a molecular weight of 504.51 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(2-morpholin-4-ylethylamino)quinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide is sourced from PubChem (CID 11627530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).