4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one

C24H23NO2 — CID 14494718

IUPAC4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3c2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H23NO2/c1-24(2)14-21-23(22(26)15-24)19(16-9-11-18(27-3)12-10-16)13-20(25-21)17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3
InChIKeyYGBWOKOTWGJRMP-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.58
Rot. Bonds3

About 4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one

4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one (PubChem CID 14494718) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one
PubChem CID14494718
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc3c2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H23NO2/c1-24(2)14-21-23(22(26)15-24)19(16-9-11-18(27-3)12-10-16)13-20(25-21)17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3
InChIKeyYGBWOKOTWGJRMP-UHFFFAOYSA-N
XLogP5.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one?
The IUPAC name of 4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one (CID 14494718) is 4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one?
The canonical SMILES for 4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one is COc1ccc(-c2cc(-c3ccccc3)nc3c2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one?
The InChIKey is YGBWOKOTWGJRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-24(2)14-21-23(22(26)15-24)19(16-9-11-18(27-3)12-10-16)13-20(25-21)17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one?
4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one has a molecular weight of 357.45 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-7,7-dimethyl-2-phenyl-6,8-dihydroquinolin-5-one is sourced from PubChem (CID 14494718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).