7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one

C23H23NO — CID 10914479

IUPAC7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=CC2c1ccccc1
InChIInChI=1S/C23H23NO/c1-23(2)14-20-22(21(25)15-23)18(16-9-5-3-6-10-16)13-19(24-20)17-11-7-4-8-12-17/h3-13,18,24H,14-15H2,1-2H3
InChIKeyDCKQOTCYLKBLLM-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.06
Rot. Bonds2

About 7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one

7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one (PubChem CID 10914479) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one
PubChem CID10914479
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=CC2c1ccccc1
InChIInChI=1S/C23H23NO/c1-23(2)14-20-22(21(25)15-23)18(16-9-5-3-6-10-16)13-19(24-20)17-11-7-4-8-12-17/h3-13,18,24H,14-15H2,1-2H3
InChIKeyDCKQOTCYLKBLLM-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one?
The IUPAC name of 7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one (CID 10914479) is 7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one?
The canonical SMILES for 7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one is CC1(C)CC(=O)C2=C(C1)NC(c1ccccc1)=CC2c1ccccc1.
What is the InChIKey of 7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one?
The InChIKey is DCKQOTCYLKBLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-23(2)14-20-22(21(25)15-23)18(16-9-5-3-6-10-16)13-19(24-20)17-11-7-4-8-12-17/h3-13,18,24H,14-15H2,1-2H3.
What are the key properties of 7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one?
7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one has a molecular weight of 329.44 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2,4-diphenyl-1,4,6,8-tetrahydroquinolin-5-one is sourced from PubChem (CID 10914479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).