4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one

C19H27NO2 — CID 46886202

IUPAC4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one
SMILESCC(C)CCOc1c(CCC(C)C)c(=O)[nH]c2ccccc12
InChIInChI=1S/C19H27NO2/c1-13(2)9-10-16-18(22-12-11-14(3)4)15-7-5-6-8-17(15)20-19(16)21/h5-8,13-14H,9-12H2,1-4H3,(H,20,21)
InChIKeyNLTSIROGGMLXHG-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.54
Rot. Bonds7

About 4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one

4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one (PubChem CID 46886202) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one
PubChem CID46886202
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one
SMILESCC(C)CCOc1c(CCC(C)C)c(=O)[nH]c2ccccc12
InChIInChI=1S/C19H27NO2/c1-13(2)9-10-16-18(22-12-11-14(3)4)15-7-5-6-8-17(15)20-19(16)21/h5-8,13-14H,9-12H2,1-4H3,(H,20,21)
InChIKeyNLTSIROGGMLXHG-UHFFFAOYSA-N
XLogP4.54
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1H)-one
CID 448724
4-((Cyclopropylethynyl)oxy)-6-fluoro-3-isopropylquinolin-2(1H)-one
CID 448725
6-Chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1H)-one
CID 448729
Flindersine
CID 68230
4-methoxy-N-methyl-2-quinolone
CID 182073
Bucharaine
CID 5338262
4-Ethoxycarbonyl-2-quinolone
CID 160782
Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54684458
4-Hydroxy-3-methylquinolin-2(1H)-one
CID 54678416
Methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate
CID 829361
4-Methoxy-3-(3-methyl-1,3-butadienyl)-2(1H)-quinolinone
CID 131752802
Methyl 3-methyl-2-oxo-1,2-dihydro-4-quinolinecarboxylate
CID 751540

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one?
The IUPAC name of 4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one (CID 46886202) is 4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one is CC(C)CCOc1c(CCC(C)C)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one?
The InChIKey is NLTSIROGGMLXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-13(2)9-10-16-18(22-12-11-14(3)4)15-7-5-6-8-17(15)20-19(16)21/h5-8,13-14H,9-12H2,1-4H3,(H,20,21).
What are the key properties of 4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one?
4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one has a molecular weight of 301.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-3-(3-methylbutyl)-1H-quinolin-2-one is sourced from PubChem (CID 46886202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).