2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C26H26N2O2 — CID 155516295

IUPAC2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(/C=C/c2ccccc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C26H26N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,15-16,20,27H,8,13-14H2,1-2H3,(H,28,30)/b16-15+
InChIKeyCDJOWDZMIXHTHD-FOCLMDBBSA-N
MW398.51 g/mol
LogP5.15
Rot. Bonds4

About 2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155516295) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155516295
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(/C=C/c2ccccc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C26H26N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,15-16,20,27H,8,13-14H2,1-2H3,(H,28,30)/b16-15+
InChIKeyCDJOWDZMIXHTHD-FOCLMDBBSA-N
XLogP5.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155516295) is 2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(/C=C/c2ccccc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is CDJOWDZMIXHTHD-FOCLMDBBSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,15-16,20,27H,8,13-14H2,1-2H3,(H,28,30)/b16-15+.
What are the key properties of 2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-5-oxo-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155516295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).