6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one

C14H17NO3 — CID 79395861

IUPAC6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)C(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H17NO3/c1-9(2)13(16)8-18-11-4-5-12-10(7-11)3-6-14(17)15-12/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,17)
InChIKeyDZVHOFBRMFJFIQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.18
Rot. Bonds4

About 6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one

6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 79395861) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID79395861
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)C(=O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H17NO3/c1-9(2)13(16)8-18-11-4-5-12-10(7-11)3-6-14(17)15-12/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,17)
InChIKeyDZVHOFBRMFJFIQ-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
N-[1-(4-bromophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55528214
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 43799666
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33261263
ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 12821880
6-[2-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 167855339
2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]-N-propan-2-ylbenzamide
CID 55672954
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103074282
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one (CID 79395861) is 6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one is CC(C)C(=O)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is DZVHOFBRMFJFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(2)13(16)8-18-11-4-5-12-10(7-11)3-6-14(17)15-12/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,17).
What are the key properties of 6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one?
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 79395861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).