2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide

C27H24F6N4O4 — CID 46213231

IUPAC2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1)Nc1cc(C(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C27H24F6N4O4/c28-26(29,30)16-5-6-22(41-27(31,32)33)21(13-16)35-23(38)15-36-8-7-20-18(14-36)24(17-3-1-2-4-19(17)34-20)25(39)37-9-11-40-12-10-37/h1-6,13H,7-12,14-15H2,(H,35,38)
InChIKeyADJXOZHKCDTDJI-UHFFFAOYSA-N
MW582.50 g/mol
LogP4.62
Rot. Bonds5

About 2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide

2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 46213231) has the molecular formula C27H24F6N4O4 and a molecular weight of 582.50 g/mol. Its IUPAC name is 2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID46213231
Molecular FormulaC27H24F6N4O4
Molecular Weight582.50 g/mol
Exact Mass582.17
IUPAC Name2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1)Nc1cc(C(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C27H24F6N4O4/c28-26(29,30)16-5-6-22(41-27(31,32)33)21(13-16)35-23(38)15-36-8-7-20-18(14-36)24(17-3-1-2-4-19(17)34-20)25(39)37-9-11-40-12-10-37/h1-6,13H,7-12,14-15H2,(H,35,38)
InChIKeyADJXOZHKCDTDJI-UHFFFAOYSA-N
XLogP4.62
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide (CID 46213231) is 2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1)Nc1cc(C(F)(F)F)ccc1OC(F)(F)F.
What is the InChIKey of 2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ADJXOZHKCDTDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F6N4O4/c28-26(29,30)16-5-6-22(41-27(31,32)33)21(13-16)35-23(38)15-36-8-7-20-18(14-36)24(17-3-1-2-4-19(17)34-20)25(39)37-9-11-40-12-10-37/h1-6,13H,7-12,14-15H2,(H,35,38).
What are the key properties of 2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide?
2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 582.50 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46213231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).