2-(2-methoxyethoxy)-1-quinolin-5-ylethanone

C14H15NO3 — CID 114032521

IUPAC2-(2-methoxyethoxy)-1-quinolin-5-ylethanone
SMILESCOCCOCC(=O)c1cccc2ncccc12
InChIInChI=1S/C14H15NO3/c1-17-8-9-18-10-14(16)12-4-2-6-13-11(12)5-3-7-15-13/h2-7H,8-10H2,1H3
InChIKeyVXBQRYWYDNHNOD-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.08
Rot. Bonds6

About 2-(2-methoxyethoxy)-1-quinolin-5-ylethanone

2-(2-methoxyethoxy)-1-quinolin-5-ylethanone (PubChem CID 114032521) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-quinolin-5-ylethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-quinolin-5-ylethanone
PubChem CID114032521
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(2-methoxyethoxy)-1-quinolin-5-ylethanone
SMILESCOCCOCC(=O)c1cccc2ncccc12
InChIInChI=1S/C14H15NO3/c1-17-8-9-18-10-14(16)12-4-2-6-13-11(12)5-3-7-15-13/h2-7H,8-10H2,1H3
InChIKeyVXBQRYWYDNHNOD-UHFFFAOYSA-N
XLogP2.08
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
2-(2-methylphenyl)-1-quinolin-5-ylethanone
CID 81220706
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
1-quinolin-5-ylhexan-1-one
CID 115789824
2-(2-methoxyethoxy)-1-quinolin-7-ylethanone
CID 114032528
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
2-tert-butylsulfanyl-1-quinolin-5-ylethanone
CID 81220116
N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide
CID 112550935
4-methoxy-2-methyl-1-quinolin-4-ylbutan-1-one
CID 105131611
methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
CID 43422482
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-quinolin-5-ylethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-quinolin-5-ylethanone (CID 114032521) is 2-(2-methoxyethoxy)-1-quinolin-5-ylethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-quinolin-5-ylethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-quinolin-5-ylethanone is COCCOCC(=O)c1cccc2ncccc12.
What is the InChIKey of 2-(2-methoxyethoxy)-1-quinolin-5-ylethanone?
The InChIKey is VXBQRYWYDNHNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-17-8-9-18-10-14(16)12-4-2-6-13-11(12)5-3-7-15-13/h2-7H,8-10H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-1-quinolin-5-ylethanone?
2-(2-methoxyethoxy)-1-quinolin-5-ylethanone has a molecular weight of 245.28 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-quinolin-5-ylethanone is sourced from PubChem (CID 114032521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).