1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone

C21H25NO — CID 4263219

IUPAC1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone
SMILESCC(=O)N1c2ccc(C)cc2C(C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C21H25NO/c1-15-11-12-19-18(13-15)21(5,17-9-7-6-8-10-17)14-20(3,4)22(19)16(2)23/h6-13H,14H2,1-5H3
InChIKeyUHWQFJIDBCYRIB-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.84
Rot. Bonds1

About 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone

1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone (PubChem CID 4263219) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone
PubChem CID4263219
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone
SMILESCC(=O)N1c2ccc(C)cc2C(C)(c2ccccc2)CC1(C)C
InChIInChI=1S/C21H25NO/c1-15-11-12-19-18(13-15)21(5,17-9-7-6-8-10-17)14-20(3,4)22(19)16(2)23/h6-13H,14H2,1-5H3
InChIKeyUHWQFJIDBCYRIB-UHFFFAOYSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone?
The IUPAC name of 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone (CID 4263219) is 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone.
What is the SMILES notation for 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone?
The canonical SMILES for 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone is CC(=O)N1c2ccc(C)cc2C(C)(c2ccccc2)CC1(C)C.
What is the InChIKey of 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone?
The InChIKey is UHWQFJIDBCYRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-15-11-12-19-18(13-15)21(5,17-9-7-6-8-10-17)14-20(3,4)22(19)16(2)23/h6-13H,14H2,1-5H3.
What are the key properties of 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone?
1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone has a molecular weight of 307.44 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone is sourced from PubChem (CID 4263219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).