1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone

C20H23NO — CID 536369

IUPAC1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2C(C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C20H23NO/c1-15(22)21-18-13-9-8-12-17(18)20(4,14-19(21,2)3)16-10-6-5-7-11-16/h5-13H,14H2,1-4H3
InChIKeyJLYYIDKYCOIPQS-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.53
Rot. Bonds1

About 1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone

1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone (PubChem CID 536369) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
PubChem CID536369
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
SMILESCC(=O)N1c2ccccc2C(C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C20H23NO/c1-15(22)21-18-13-9-8-12-17(18)20(4,14-19(21,2)3)16-10-6-5-7-11-16/h5-13H,14H2,1-4H3
InChIKeyJLYYIDKYCOIPQS-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone (CID 536369) is 1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone is CC(=O)N1c2ccccc2C(C)(c2ccccc2)CC1(C)C.
What is the InChIKey of 1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone?
The InChIKey is JLYYIDKYCOIPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-15(22)21-18-13-9-8-12-17(18)20(4,14-19(21,2)3)16-10-6-5-7-11-16/h5-13H,14H2,1-4H3.
What are the key properties of 1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone?
1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone has a molecular weight of 293.41 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone is sourced from PubChem (CID 536369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).