2-(3-ethylphenoxy)quinoline-3-carbaldehyde

C18H15NO2 — CID 28951558

IUPAC2-(3-ethylphenoxy)quinoline-3-carbaldehyde
SMILESCCc1cccc(Oc2nc3ccccc3cc2C=O)c1
InChIInChI=1S/C18H15NO2/c1-2-13-6-5-8-16(10-13)21-18-15(12-20)11-14-7-3-4-9-17(14)19-18/h3-12H,2H2,1H3
InChIKeyMFKTUPCHKMTRGD-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.40
Rot. Bonds4

About 2-(3-ethylphenoxy)quinoline-3-carbaldehyde

2-(3-ethylphenoxy)quinoline-3-carbaldehyde (PubChem CID 28951558) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-ethylphenoxy)quinoline-3-carbaldehyde
PubChem CID28951558
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-(3-ethylphenoxy)quinoline-3-carbaldehyde
SMILESCCc1cccc(Oc2nc3ccccc3cc2C=O)c1
InChIInChI=1S/C18H15NO2/c1-2-13-6-5-8-16(10-13)21-18-15(12-20)11-14-7-3-4-9-17(14)19-18/h3-12H,2H2,1H3
InChIKeyMFKTUPCHKMTRGD-UHFFFAOYSA-N
XLogP4.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylphenoxy)-5-fluorobenzaldehyde
CID 43313054
2-(5-bromo-2-fluorophenoxy)quinoline-3-carbaldehyde
CID 114673914
2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol
CID 158310859
3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine
CID 102988229
2-but-3-yn-2-yloxyquinoline-3-carbaldehyde
CID 106795052
[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80913199
6-ethyl-4-(3-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331559
4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80860603
N-[[2-(3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296699
(2-formylphenyl) 2-(3-ethylphenoxy)acetate
CID 39199858
2-chloro-4-(3-propylphenoxy)benzaldehyde
CID 58022595
[2-(3-iodophenoxy)quinolin-3-yl]methanamine
CID 43327394

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)quinoline-3-carbaldehyde?
The IUPAC name of 2-(3-ethylphenoxy)quinoline-3-carbaldehyde (CID 28951558) is 2-(3-ethylphenoxy)quinoline-3-carbaldehyde.
What is the SMILES notation for 2-(3-ethylphenoxy)quinoline-3-carbaldehyde?
The canonical SMILES for 2-(3-ethylphenoxy)quinoline-3-carbaldehyde is CCc1cccc(Oc2nc3ccccc3cc2C=O)c1.
What is the InChIKey of 2-(3-ethylphenoxy)quinoline-3-carbaldehyde?
The InChIKey is MFKTUPCHKMTRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-2-13-6-5-8-16(10-13)21-18-15(12-20)11-14-7-3-4-9-17(14)19-18/h3-12H,2H2,1H3.
What are the key properties of 2-(3-ethylphenoxy)quinoline-3-carbaldehyde?
2-(3-ethylphenoxy)quinoline-3-carbaldehyde has a molecular weight of 277.32 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)quinoline-3-carbaldehyde is sourced from PubChem (CID 28951558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).