N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide

C30H27F3N4O4 — CID 44583657

IUPACN-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)ccc3C)ccnc12
InChIInChI=1S/C30H27F3N4O4/c1-18-6-7-22(17-27(18)41-26-8-9-34-28-24(26)4-3-5-25(28)35-19(2)38)36-29(39)20-14-21(30(31,32)33)16-23(15-20)37-10-12-40-13-11-37/h3-9,14-17H,10-13H2,1-2H3,(H,35,38)(H,36,39)
InChIKeyVZPHSRNNACPPBM-UHFFFAOYSA-N
MW564.56 g/mol
LogP6.40
Rot. Bonds6

About N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide

N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 44583657) has the molecular formula C30H27F3N4O4 and a molecular weight of 564.56 g/mol. Its IUPAC name is N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID44583657
Molecular FormulaC30H27F3N4O4
Molecular Weight564.56 g/mol
Exact Mass564.20
IUPAC NameN-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESCC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)ccc3C)ccnc12
InChIInChI=1S/C30H27F3N4O4/c1-18-6-7-22(17-27(18)41-26-8-9-34-28-24(26)4-3-5-25(28)35-19(2)38)36-29(39)20-14-21(30(31,32)33)16-23(15-20)37-10-12-40-13-11-37/h3-9,14-17H,10-13H2,1-2H3,(H,35,38)(H,36,39)
InChIKeyVZPHSRNNACPPBM-UHFFFAOYSA-N
XLogP6.40
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.56
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(8-acetamidoquinolin-4-yl)oxy-3-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89404279
N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 174382009
3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
CID 90408857
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 91496237
N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 147285112
4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-(2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepin-9-yloxy)benzamide
CID 135385325
methyl N-[3-[(4-morpholin-4-ylphenyl)carbamoyl]-5-(trifluoromethyl)phenyl]carbamate
CID 167841855
N-(3-formamido-4-methylphenyl)-3-pyrrolidin-1-yl-5-(trifluoromethyl)benzamide
CID 130182759
3-fluoro-N-[4-methyl-3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-morpholin-4-ylbenzamide
CID 22594080
3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
CID 44547277
N-[4-methyl-3-[1-methyl-7-(methylamino)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 11284323

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide (CID 44583657) is N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide is CC(=O)Nc1cccc2c(Oc3cc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)ccc3C)ccnc12.
What is the InChIKey of N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is VZPHSRNNACPPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N4O4/c1-18-6-7-22(17-27(18)41-26-8-9-34-28-24(26)4-3-5-25(28)35-19(2)38)36-29(39)20-14-21(30(31,32)33)16-23(15-20)37-10-12-40-13-11-37/h3-9,14-17H,10-13H2,1-2H3,(H,35,38)(H,36,39).
What are the key properties of N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 564.56 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 44583657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).