4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one

C17H21NO2 — CID 103035452

IUPAC4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one
SMILESCOC(C)(C)CCC(=O)c1cc(C)c2ccccc2n1
InChIInChI=1S/C17H21NO2/c1-12-11-15(16(19)9-10-17(2,3)20-4)18-14-8-6-5-7-13(12)14/h5-8,11H,9-10H2,1-4H3
InChIKeyUPUVJTZZSVAQSV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.93
Rot. Bonds5

About 4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one

4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one (PubChem CID 103035452) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one
PubChem CID103035452
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one
SMILESCOC(C)(C)CCC(=O)c1cc(C)c2ccccc2n1
InChIInChI=1S/C17H21NO2/c1-12-11-15(16(19)9-10-17(2,3)20-4)18-14-8-6-5-7-13(12)14/h5-8,11H,9-10H2,1-4H3
InChIKeyUPUVJTZZSVAQSV-UHFFFAOYSA-N
XLogP3.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one?
The IUPAC name of 4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one (CID 103035452) is 4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one.
What is the SMILES notation for 4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one?
The canonical SMILES for 4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one is COC(C)(C)CCC(=O)c1cc(C)c2ccccc2n1.
What is the InChIKey of 4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one?
The InChIKey is UPUVJTZZSVAQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-11-15(16(19)9-10-17(2,3)20-4)18-14-8-6-5-7-13(12)14/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one?
4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one has a molecular weight of 271.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(4-methylquinolin-2-yl)pentan-1-one is sourced from PubChem (CID 103035452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).