2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone

C21H21NO2 — CID 158324541

IUPAC2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone
SMILESCc1ccc2cccc(CC(=O)c3cccc(OC(C)C)c3)c2n1
InChIInChI=1S/C21H21NO2/c1-14(2)24-19-9-5-7-17(12-19)20(23)13-18-8-4-6-16-11-10-15(3)22-21(16)18/h4-12,14H,13H2,1-3H3
InChIKeyBVJZANOORYUCMX-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.76
Rot. Bonds5

About 2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone

2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone (PubChem CID 158324541) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone
PubChem CID158324541
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone
SMILESCc1ccc2cccc(CC(=O)c3cccc(OC(C)C)c3)c2n1
InChIInChI=1S/C21H21NO2/c1-14(2)24-19-9-5-7-17(12-19)20(23)13-18-8-4-6-16-11-10-15(3)22-21(16)18/h4-12,14H,13H2,1-3H3
InChIKeyBVJZANOORYUCMX-UHFFFAOYSA-N
XLogP4.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone with MolForge

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Related Compounds

2-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]-1-(3-propan-2-yloxyphenyl)ethanone
CID 157187192
1-[4-(dimethylamino)phenyl]-2-(2-methylquinolin-8-yl)ethanone;bis(1-(3-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone);tris(1-(4-methylphenyl)-2-(2-methylquinolin-8-yl)ethanone)
CID 163612684
1-(3-propan-2-yloxyphenyl)but-3-en-1-one
CID 116659453
3-amino-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116555955
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 114979332
4,4-dimethyl-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 114970108
2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 115786328
4-oxo-4-(3-propan-2-yloxyphenyl)butanenitrile
CID 61213015
2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-yloxyphenyl)ethanone
CID 105120452
4-bromo-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 146007117
2-hydroxy-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 103453162
3-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 114969685

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone (CID 158324541) is 2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone is Cc1ccc2cccc(CC(=O)c3cccc(OC(C)C)c3)c2n1.
What is the InChIKey of 2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone?
The InChIKey is BVJZANOORYUCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14(2)24-19-9-5-7-17(12-19)20(23)13-18-8-4-6-16-11-10-15(3)22-21(16)18/h4-12,14H,13H2,1-3H3.
What are the key properties of 2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone?
2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone has a molecular weight of 319.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-8-yl)-1-(3-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 158324541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).