7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione

C23H23NO2 — CID 3594347

IUPAC7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)CC2c1ccccc1
InChIInChI=1S/C23H23NO2/c1-23(2)14-19-22(20(25)15-23)18(16-9-5-3-6-10-16)13-21(26)24(19)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKeyREHUPAQDLIEZJW-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.85
Rot. Bonds2

About 7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione

7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione (PubChem CID 3594347) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
PubChem CID3594347
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)CC2c1ccccc1
InChIInChI=1S/C23H23NO2/c1-23(2)14-19-22(20(25)15-23)18(16-9-5-3-6-10-16)13-21(26)24(19)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKeyREHUPAQDLIEZJW-UHFFFAOYSA-N
XLogP4.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione (CID 3594347) is 7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione is CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(=O)CC2c1ccccc1.
What is the InChIKey of 7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
The InChIKey is REHUPAQDLIEZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-23(2)14-19-22(20(25)15-23)18(16-9-5-3-6-10-16)13-21(26)24(19)17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3.
What are the key properties of 7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione?
7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione has a molecular weight of 345.44 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,4-diphenyl-3,4,6,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 3594347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).