1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C25H25NO2 — CID 23859440

IUPAC1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cccc(N2C(=O)CC(/C=C/c3ccccc3)C3=C2CCCC3=O)c1C
InChIInChI=1S/C25H25NO2/c1-17-8-6-11-21(18(17)2)26-22-12-7-13-23(27)25(22)20(16-24(26)28)15-14-19-9-4-3-5-10-19/h3-6,8-11,14-15,20H,7,12-13,16H2,1-2H3/b15-14+
InChIKeyMRGLOULUTVYFIC-CCEZHUSRSA-N
MW371.48 g/mol
LogP5.38
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23859440) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23859440
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESCc1cccc(N2C(=O)CC(/C=C/c3ccccc3)C3=C2CCCC3=O)c1C
InChIInChI=1S/C25H25NO2/c1-17-8-6-11-21(18(17)2)26-22-12-7-13-23(27)25(22)20(16-24(26)28)15-14-19-9-4-3-5-10-19/h3-6,8-11,14-15,20H,7,12-13,16H2,1-2H3/b15-14+
InChIKeyMRGLOULUTVYFIC-CCEZHUSRSA-N
XLogP5.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23859440) is 1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is Cc1cccc(N2C(=O)CC(/C=C/c3ccccc3)C3=C2CCCC3=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is MRGLOULUTVYFIC-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H25NO2/c1-17-8-6-11-21(18(17)2)26-22-12-7-13-23(27)25(22)20(16-24(26)28)15-14-19-9-4-3-5-10-19/h3-6,8-11,14-15,20H,7,12-13,16H2,1-2H3/b15-14+.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 371.48 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23859440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).