N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

C32H23ClF3N3O2 — CID 24955626

IUPACN-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(/C=C/c3ccc(Cl)cc3)cc2n(C)c1=O
InChIInChI=1S/C32H23ClF3N3O2/c1-19-6-12-26(38-30(40)21-4-3-5-23(14-21)32(34,35)36)16-27(19)28-15-22-18-37-25(17-29(22)39(2)31(28)41)13-9-20-7-10-24(33)11-8-20/h3-18H,1-2H3,(H,38,40)/b13-9+
InChIKeyWTOPPVPXSZAKIC-UKTHLTGXSA-N
MW574.00 g/mol
LogP8.00
Rot. Bonds5

About N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 24955626) has the molecular formula C32H23ClF3N3O2 and a molecular weight of 574.00 g/mol. Its IUPAC name is N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID24955626
Molecular FormulaC32H23ClF3N3O2
Molecular Weight574.00 g/mol
Exact Mass573.14
IUPAC NameN-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(/C=C/c3ccc(Cl)cc3)cc2n(C)c1=O
InChIInChI=1S/C32H23ClF3N3O2/c1-19-6-12-26(38-30(40)21-4-3-5-23(14-21)32(34,35)36)16-27(19)28-15-22-18-37-25(17-29(22)39(2)31(28)41)13-9-20-7-10-24(33)11-8-20/h3-18H,1-2H3,(H,38,40)/b13-9+
InChIKeyWTOPPVPXSZAKIC-UKTHLTGXSA-N
XLogP8.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.00
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 24955626) is N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(/C=C/c3ccc(Cl)cc3)cc2n(C)c1=O.
What is the InChIKey of N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is WTOPPVPXSZAKIC-UKTHLTGXSA-N. The full InChI is InChI=1S/C32H23ClF3N3O2/c1-19-6-12-26(38-30(40)21-4-3-5-23(14-21)32(34,35)36)16-27(19)28-15-22-18-37-25(17-29(22)39(2)31(28)41)13-9-20-7-10-24(33)11-8-20/h3-18H,1-2H3,(H,38,40)/b13-9+.
What are the key properties of N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 574.00 g/mol, XLogP of 8.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-[(E)-2-(4-chlorophenyl)ethenyl]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24955626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).