2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide

C26H26N2O3 — CID 23744015

IUPAC2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(N)=O)C(=O)CC2/C=C/c1ccccc1
InChIInChI=1S/C26H26N2O3/c1-26(2)15-21-24(22(29)16-26)18(13-12-17-8-4-3-5-9-17)14-23(30)28(21)20-11-7-6-10-19(20)25(27)31/h3-13,18H,14-16H2,1-2H3,(H2,27,31)/b13-12+
InChIKeyFAUMFGKMGLMKNM-OUKQBFOZSA-N
MW414.51 g/mol
LogP4.49
Rot. Bonds4

About 2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide

2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide (PubChem CID 23744015) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide.

Molecular Properties

Compound Name2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide
PubChem CID23744015
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(N)=O)C(=O)CC2/C=C/c1ccccc1
InChIInChI=1S/C26H26N2O3/c1-26(2)15-21-24(22(29)16-26)18(13-12-17-8-4-3-5-9-17)14-23(30)28(21)20-11-7-6-10-19(20)25(27)31/h3-13,18H,14-16H2,1-2H3,(H2,27,31)/b13-12+
InChIKeyFAUMFGKMGLMKNM-OUKQBFOZSA-N
XLogP4.49
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide?
The IUPAC name of 2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide (CID 23744015) is 2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide.
What is the SMILES notation for 2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide?
The canonical SMILES for 2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide is CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C(N)=O)C(=O)CC2/C=C/c1ccccc1.
What is the InChIKey of 2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide?
The InChIKey is FAUMFGKMGLMKNM-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-26(2)15-21-24(22(29)16-26)18(13-12-17-8-4-3-5-9-17)14-23(30)28(21)20-11-7-6-10-19(20)25(27)31/h3-13,18H,14-16H2,1-2H3,(H2,27,31)/b13-12+.
What are the key properties of 2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide?
2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7,7-dimethyl-2,5-dioxo-4-[(E)-2-phenylethenyl]-3,4,6,8-tetrahydroquinolin-1-yl]benzamide is sourced from PubChem (CID 23744015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).