5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one

C22H25NO3 — CID 516424

IUPAC5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one
SMILESCOc1c(OCC(C)C)ccc2c1c(=O)c(C)c(-c1ccccc1)n2C
InChIInChI=1S/C22H25NO3/c1-14(2)13-26-18-12-11-17-19(22(18)25-5)21(24)15(3)20(23(17)4)16-9-7-6-8-10-16/h6-12,14H,13H2,1-5H3
InChIKeyZIIWWMJINOKSMB-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.56
Rot. Bonds5

About 5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one

5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one (PubChem CID 516424) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one.

Molecular Properties

Compound Name5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one
PubChem CID516424
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one
SMILESCOc1c(OCC(C)C)ccc2c1c(=O)c(C)c(-c1ccccc1)n2C
InChIInChI=1S/C22H25NO3/c1-14(2)13-26-18-12-11-17-19(22(18)25-5)21(24)15(3)20(23(17)4)16-9-7-6-8-10-16/h6-12,14H,13H2,1-5H3
InChIKeyZIIWWMJINOKSMB-UHFFFAOYSA-N
XLogP4.56
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82161609
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4-methoxy-1,3-dimethyl-6-nitro-2-phenylindole
CID 54770698
5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole
CID 10065905
4-bromo-1,3-dimethyl-2-phenylindole
CID 68814415
1-(4-methoxynaphthalen-1-yl)oxypropan-2-ol
CID 14692873
2-(2-methylpropoxy)-4-phenylbenzoic acid
CID 162369990
2-(2-methylpropoxy)-5-phenylbenzaldehyde
CID 54795057
3-[2-methoxy-3-(2-methylpropoxy)phenyl]propan-1-ol
CID 82161152
3-(2-methoxyphenoxy)-2-methylpropanoic acid
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CID 11300822

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one?
The IUPAC name of 5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one (CID 516424) is 5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one.
What is the SMILES notation for 5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one?
The canonical SMILES for 5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one is COc1c(OCC(C)C)ccc2c1c(=O)c(C)c(-c1ccccc1)n2C.
What is the InChIKey of 5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one?
The InChIKey is ZIIWWMJINOKSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-14(2)13-26-18-12-11-17-19(22(18)25-5)21(24)15(3)20(23(17)4)16-9-7-6-8-10-16/h6-12,14H,13H2,1-5H3.
What are the key properties of 5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one?
5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one has a molecular weight of 351.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-dimethyl-6-(2-methylpropoxy)-2-phenylquinolin-4-one is sourced from PubChem (CID 516424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).