3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one

C23H27NO2 — CID 126607829

IUPAC3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one
SMILESCCC(C)(C)Oc1cc(C)c(-c2cc3ccccc3n(C)c2=O)c(C)c1
InChIInChI=1S/C23H27NO2/c1-7-23(4,5)26-18-12-15(2)21(16(3)13-18)19-14-17-10-8-9-11-20(17)24(6)22(19)25/h8-14H,7H2,1-6H3
InChIKeyPVJPLSQZDGDFSK-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.39
Rot. Bonds4

About 3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one

3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one (PubChem CID 126607829) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one
PubChem CID126607829
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one
SMILESCCC(C)(C)Oc1cc(C)c(-c2cc3ccccc3n(C)c2=O)c(C)c1
InChIInChI=1S/C23H27NO2/c1-7-23(4,5)26-18-12-15(2)21(16(3)13-18)19-14-17-10-8-9-11-20(17)24(6)22(19)25/h8-14H,7H2,1-6H3
InChIKeyPVJPLSQZDGDFSK-UHFFFAOYSA-N
XLogP5.39
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethenol;1-methyl-3-[4-(2-methylbutan-2-yloxy)phenyl]quinoline-2-thione
CID 145263299
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
2,2-dimethylbutanoic acid;3-[4-(2-methylbutan-2-yloxy)phenyl]-1-pentylquinolin-2-one
CID 145263302
[2,3-dimethyl-3-[2,3,5,6-tetramethyl-4-(1-methyl-2-oxoquinolin-3-yl)phenoxy]butan-2-yl] 2-methylbutanoate
CID 126607756
2-methylbutanoic acid;3-[4-(2-methylbutan-2-yloxy)phenyl]-1-pentylquinolin-2-one
CID 145263290
3-(4-aminophenyl)-1-methylquinolin-2-one;ethane
CID 90778369
3-(furan-2-yl)-1-methylquinolin-2-one
CID 15733006
3-(1-amino-2-methylpropan-2-yl)-1-methylquinolin-2-one
CID 84626143
3-iodo-1-methylquinolin-2-one
CID 15733001
3-amino-1-methylquinolin-2-one
CID 19417653
1-methyl-3-[4-(2-oxobut-3-enoxy)phenyl]quinolin-2-one
CID 145263310
3-(3-amino-2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 116985074

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one?
The IUPAC name of 3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one (CID 126607829) is 3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one?
The canonical SMILES for 3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one is CCC(C)(C)Oc1cc(C)c(-c2cc3ccccc3n(C)c2=O)c(C)c1.
What is the InChIKey of 3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one?
The InChIKey is PVJPLSQZDGDFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-7-23(4,5)26-18-12-15(2)21(16(3)13-18)19-14-17-10-8-9-11-20(17)24(6)22(19)25/h8-14H,7H2,1-6H3.
What are the key properties of 3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one?
3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one has a molecular weight of 349.47 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dimethyl-4-(2-methylbutan-2-yloxy)phenyl]-1-methylquinolin-2-one is sourced from PubChem (CID 126607829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).