6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one

C14H17NO4 — CID 18452922

IUPAC6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one
SMILESCOCCOCCOc1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C14H17NO4/c1-17-6-7-18-8-9-19-12-2-3-13-11(10-12)4-5-15-14(13)16/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyIFMHQXRBXAEWSZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.57
Rot. Bonds7

About 6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one

6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one (PubChem CID 18452922) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one
PubChem CID18452922
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one
SMILESCOCCOCCOc1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C14H17NO4/c1-17-6-7-18-8-9-19-12-2-3-13-11(10-12)4-5-15-14(13)16/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyIFMHQXRBXAEWSZ-UHFFFAOYSA-N
XLogP1.57
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(1-oxo-2H-isoquinolin-6-yl)oxy]benzoate
CID 142426828
2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
CID 143968517
2,7-bis[2-(2-methoxyethoxy)ethoxy]acridine-9-carboxylic acid
CID 59283816
5-[4-(2-methoxyethoxy)phenyl]-1H-indole
CID 66820304
5-chloro-3-[7-[2-(2-methoxyethoxy)ethoxy]quinazolin-4-yl]-1,3-dihydroindol-2-one;1H-indol-5-yl hypochlorite;hydrochloride
CID 159636638
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
2-(chloromethyl)-6-(2-methoxyethoxy)-3H-quinazolin-4-one
CID 156870415
methyl 4-methyl-3,5-bis(1-oxo-2H-isoquinolin-6-yl)benzoate
CID 68722321
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
1-oxo-2H-isoquinoline-6-carboxylic acid
CID 58252554
6-pentan-3-yl-2H-isoquinolin-1-one
CID 67475495

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one?
The IUPAC name of 6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one (CID 18452922) is 6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one?
The canonical SMILES for 6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one is COCCOCCOc1ccc2c(=O)[nH]ccc2c1.
What is the InChIKey of 6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one?
The InChIKey is IFMHQXRBXAEWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-17-6-7-18-8-9-19-12-2-3-13-11(10-12)4-5-15-14(13)16/h2-5,10H,6-9H2,1H3,(H,15,16).
What are the key properties of 6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one?
6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one has a molecular weight of 263.29 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyethoxy)ethoxy]-2H-isoquinolin-1-one is sourced from PubChem (CID 18452922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).