8-(2-methoxyethoxy)quinoline-2-carbaldehyde

C13H13NO3 — CID 150689911

IUPAC8-(2-methoxyethoxy)quinoline-2-carbaldehyde
SMILESCOCCOc1cccc2ccc(C=O)nc12
InChIInChI=1S/C13H13NO3/c1-16-7-8-17-12-4-2-3-10-5-6-11(9-15)14-13(10)12/h2-6,9H,7-8H2,1H3
InChIKeyJJQWGUYEZHNDGN-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.07
Rot. Bonds5

About 8-(2-methoxyethoxy)quinoline-2-carbaldehyde

8-(2-methoxyethoxy)quinoline-2-carbaldehyde (PubChem CID 150689911) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 8-(2-methoxyethoxy)quinoline-2-carbaldehyde.

Molecular Properties

Compound Name8-(2-methoxyethoxy)quinoline-2-carbaldehyde
PubChem CID150689911
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name8-(2-methoxyethoxy)quinoline-2-carbaldehyde
SMILESCOCCOc1cccc2ccc(C=O)nc12
InChIInChI=1S/C13H13NO3/c1-16-7-8-17-12-4-2-3-10-5-6-11(9-15)14-13(10)12/h2-6,9H,7-8H2,1H3
InChIKeyJJQWGUYEZHNDGN-UHFFFAOYSA-N
XLogP2.07
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
8-fluoro-7-methoxyquinoline-2-carbaldehyde
CID 89158464
2-(2-methoxyethoxy)-3-propoxybenzaldehyde
CID 86623125
4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
CID 113438349
2-[(Z)-2-(4-dodecoxyphenyl)ethenyl]-8-hexoxyquinoline
CID 11840448
3-(8-phenylmethoxyquinolin-2-yl)prop-2-enoic acid
CID 68678166
2-methoxyethyl 2-quinolin-8-yloxyacetate
CID 71408859
[4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride
CID 170918592
methyl 2-[4-(2-methylquinolin-8-yl)oxybutoxy]benzoate
CID 2183287
4-(2-methoxyethoxy)anthracene-1-carbaldehyde
CID 19738626
(2-formylquinolin-8-yl)carbamic acid
CID 89350844
N-tert-butyl-1-[8-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanimine oxide
CID 169323667

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethoxy)quinoline-2-carbaldehyde?
The IUPAC name of 8-(2-methoxyethoxy)quinoline-2-carbaldehyde (CID 150689911) is 8-(2-methoxyethoxy)quinoline-2-carbaldehyde.
What is the SMILES notation for 8-(2-methoxyethoxy)quinoline-2-carbaldehyde?
The canonical SMILES for 8-(2-methoxyethoxy)quinoline-2-carbaldehyde is COCCOc1cccc2ccc(C=O)nc12.
What is the InChIKey of 8-(2-methoxyethoxy)quinoline-2-carbaldehyde?
The InChIKey is JJQWGUYEZHNDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-7-8-17-12-4-2-3-10-5-6-11(9-15)14-13(10)12/h2-6,9H,7-8H2,1H3.
What are the key properties of 8-(2-methoxyethoxy)quinoline-2-carbaldehyde?
8-(2-methoxyethoxy)quinoline-2-carbaldehyde has a molecular weight of 231.25 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethoxy)quinoline-2-carbaldehyde is sourced from PubChem (CID 150689911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).