3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one

C15H19NO5 — CID 141273048

IUPAC3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one
SMILESCOCCOc1c(OCCOC)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H19NO5/c1-18-7-9-20-13-11-5-3-4-6-12(11)16-15(17)14(13)21-10-8-19-2/h3-6H,7-10H2,1-2H3,(H,16,17)
InChIKeyNAKWSPPBOWOVTE-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.58
Rot. Bonds8

About 3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one

3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one (PubChem CID 141273048) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one
PubChem CID141273048
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one
SMILESCOCCOc1c(OCCOC)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H19NO5/c1-18-7-9-20-13-11-5-3-4-6-12(11)16-15(17)14(13)21-10-8-19-2/h3-6H,7-10H2,1-2H3,(H,16,17)
InChIKeyNAKWSPPBOWOVTE-UHFFFAOYSA-N
XLogP1.58
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-hexoxy-2-oxo-1H-quinolin-3-yl) formate
CID 140979730
2-(3-methoxypropyl)-1H-indole-3-carbaldehyde
CID 87256999
3-(2-methoxyethyl)-1H-indole-2-carbaldehyde
CID 121011064
3-pentoxy-1H-indole-2-carboxylic acid
CID 174363847
3-propoxy-1H-indol-2-ol
CID 54179450
8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431955
4-butoxy-3-octoxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139718526
3-ethoxy-2-methyl-9H-carbazole-1,4-dione
CID 15458383
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5H-benzo[b]carbazole-6,11-dione
CID 170638975
3-butoxy-4-hexoxy-7-hydroxy-1H-quinolin-2-one
CID 139716948

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one?
The IUPAC name of 3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one (CID 141273048) is 3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one.
What is the SMILES notation for 3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one?
The canonical SMILES for 3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one is COCCOc1c(OCCOC)c2ccccc2[nH]c1=O.
What is the InChIKey of 3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one?
The InChIKey is NAKWSPPBOWOVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-18-7-9-20-13-11-5-3-4-6-12(11)16-15(17)14(13)21-10-8-19-2/h3-6H,7-10H2,1-2H3,(H,16,17).
What are the key properties of 3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one?
3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one has a molecular weight of 293.32 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one is sourced from PubChem (CID 141273048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).