ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one

C17H25NO — CID 145241790

IUPACethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one
SMILESCC.Cc1ccc2[nH]c(C(C)C(C)C)cc(=O)c2c1
InChIInChI=1S/C15H19NO.C2H6/c1-9(2)11(4)14-8-15(17)12-7-10(3)5-6-13(12)16-14;1-2/h5-9,11H,1-4H3,(H,16,17);1-2H3
InChIKeyJAKUUZVNZNJTCP-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.62
Rot. Bonds2

About ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one

ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one (PubChem CID 145241790) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Nameethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one
PubChem CID145241790
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Nameethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one
SMILESCC.Cc1ccc2[nH]c(C(C)C(C)C)cc(=O)c2c1
InChIInChI=1S/C15H19NO.C2H6/c1-9(2)11(4)14-8-15(17)12-7-10(3)5-6-13(12)16-14;1-2/h5-9,11H,1-4H3,(H,16,17);1-2H3
InChIKeyJAKUUZVNZNJTCP-UHFFFAOYSA-N
XLogP4.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-2-methylsulfanyl-1H-quinolin-4-one
CID 14319845
2,7-dimethyl-10H-acridin-9-one
CID 13293445
6-methyl-2-(trichloromethyl)-1H-quinolin-4-one
CID 121220814
3,6-dimethyl-9H-carbazole
CID 144942624
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one
CID 10658383
(2S)-4-methyl-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylamino]pentanamide
CID 72887662
2-[[benzyl-[(4-methylphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 20931351
3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 18918914
4-iodo-6-methyl-1H-quinolin-2-one
CID 156809530
3,9-dimethyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59728395
6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one
CID 72848669

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one?
The IUPAC name of ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one (CID 145241790) is ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one.
What is the SMILES notation for ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one?
The canonical SMILES for ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one is CC.Cc1ccc2[nH]c(C(C)C(C)C)cc(=O)c2c1.
What is the InChIKey of ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one?
The InChIKey is JAKUUZVNZNJTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.C2H6/c1-9(2)11(4)14-8-15(17)12-7-10(3)5-6-13(12)16-14;1-2/h5-9,11H,1-4H3,(H,16,17);1-2H3.
What are the key properties of ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one?
ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one has a molecular weight of 259.39 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2-(3-methylbutan-2-yl)-1H-quinolin-4-one is sourced from PubChem (CID 145241790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).