N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide

C37H29F3N4O4 — CID 58263555

IUPACN-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
SMILESC=C(Cn1cccn1)C(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc5cc(C)c(OC)cc45)cccc23)cc1C(F)(F)F
InChIInChI=1S/C37H29F3N4O4/c1-22-17-31-28(20-35(22)47-3)34(13-15-41-31)48-33-10-5-7-25-26(8-4-9-27(25)33)32(45)19-24-11-12-30(29(18-24)37(38,39)40)43-36(46)23(2)21-44-16-6-14-42-44/h4-18,20H,2,19,21H2,1,3H3,(H,43,46)
InChIKeyJJYIURMMIYLBBS-UHFFFAOYSA-N
MW650.66 g/mol
LogP8.33
Rot. Bonds10

About N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide

N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide (PubChem CID 58263555) has the molecular formula C37H29F3N4O4 and a molecular weight of 650.66 g/mol. Its IUPAC name is N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
PubChem CID58263555
Molecular FormulaC37H29F3N4O4
Molecular Weight650.66 g/mol
Exact Mass650.21
IUPAC NameN-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
SMILESC=C(Cn1cccn1)C(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc5cc(C)c(OC)cc45)cccc23)cc1C(F)(F)F
InChIInChI=1S/C37H29F3N4O4/c1-22-17-31-28(20-35(22)47-3)34(13-15-41-31)48-33-10-5-7-25-26(8-4-9-27(25)33)32(45)19-24-11-12-30(29(18-24)37(38,39)40)43-36(46)23(2)21-44-16-6-14-42-44/h4-18,20H,2,19,21H2,1,3H3,(H,43,46)
InChIKeyJJYIURMMIYLBBS-UHFFFAOYSA-N
XLogP8.33
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.66
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide with MolForge

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Related Compounds

3-[5-[(1R,2S)-1-(4H-1,3-benzodioxin-7-yl)-2-(2,2-difluoropropanoylamino)propoxy]indazol-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 44473146
N-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]oxyethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzamide
CID 168295357
2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)-4-quinolinecarboxamide
CID 19582704
4-ethoxy-2-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)quinoline-7-carboxamide
CID 122431848
1-N-[4-(7-carbamoyl-6-methylquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139350456
US9828369, Example 132
CID 118928942
US9828369, Example 66
CID 118928934
N-[4-[7-[1-(difluoromethyl)pyrazol-4-yl]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-4-hydroxy-6-methylpyridine-3-carboxamide
CID 156197112
US20250025443, Example 564
CID 168222733
US20250025443, Example 537
CID 169695313
US9828369, Example 34
CID 118916579
US9828369, Example 68
CID 118916635

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide?
The IUPAC name of N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide (CID 58263555) is N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide?
The canonical SMILES for N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide is C=C(Cn1cccn1)C(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc5cc(C)c(OC)cc45)cccc23)cc1C(F)(F)F.
What is the InChIKey of N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide?
The InChIKey is JJYIURMMIYLBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29F3N4O4/c1-22-17-31-28(20-35(22)47-3)34(13-15-41-31)48-33-10-5-7-25-26(8-4-9-27(25)33)32(45)19-24-11-12-30(29(18-24)37(38,39)40)43-36(46)23(2)21-44-16-6-14-42-44/h4-18,20H,2,19,21H2,1,3H3,(H,43,46).
What are the key properties of N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide?
N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide has a molecular weight of 650.66 g/mol, XLogP of 8.33, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide is sourced from PubChem (CID 58263555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).