2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one

C19H23NO — CID 71475915

IUPAC2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(C)(C)C=C2
InChIInChI=1S/C19H23NO/c1-18(2)12-16-15(17(21)13-18)10-11-19(3,4)20(16)14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3
InChIKeyFPDJPIINEHLOSH-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.48
Rot. Bonds1

About 2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one

2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one (PubChem CID 71475915) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one
PubChem CID71475915
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(C)(C)C=C2
InChIInChI=1S/C19H23NO/c1-18(2)12-16-15(17(21)13-18)10-11-19(3,4)20(16)14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3
InChIKeyFPDJPIINEHLOSH-UHFFFAOYSA-N
XLogP4.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one?
The IUPAC name of 2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one (CID 71475915) is 2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one is CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(C)(C)C=C2.
What is the InChIKey of 2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one?
The InChIKey is FPDJPIINEHLOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-18(2)12-16-15(17(21)13-18)10-11-19(3,4)20(16)14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3.
What are the key properties of 2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one?
2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one has a molecular weight of 281.40 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetramethyl-1-phenyl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 71475915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).