8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde

C21H19N3O4 — CID 86638607

IUPAC8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde
SMILESCOCCOc1ccn2c(-c3cc(C=O)c4cccc(OC)c4n3)cnc2c1
InChIInChI=1S/C21H19N3O4/c1-26-8-9-28-15-6-7-24-18(12-22-20(24)11-15)17-10-14(13-25)16-4-3-5-19(27-2)21(16)23-17/h3-7,10-13H,8-9H2,1-2H3
InChIKeyUCXYVGAAZZUQOU-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.40
Rot. Bonds7

About 8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde

8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde (PubChem CID 86638607) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde.

Molecular Properties

Compound Name8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde
PubChem CID86638607
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde
SMILESCOCCOc1ccn2c(-c3cc(C=O)c4cccc(OC)c4n3)cnc2c1
InChIInChI=1S/C21H19N3O4/c1-26-8-9-28-15-6-7-24-18(12-22-20(24)11-15)17-10-14(13-25)16-4-3-5-19(27-2)21(16)23-17/h3-7,10-13H,8-9H2,1-2H3
InChIKeyUCXYVGAAZZUQOU-UHFFFAOYSA-N
XLogP3.40
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl] trifluoromethanesulfonate
CID 86642347
1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one
CID 68600936
7-(2-methoxyethoxy)-3-pyrimidin-4-ylimidazo[1,2-a]pyridine
CID 175782225
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline
CID 59363450
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline
CID 59176341
3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine
CID 155587467
(3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine
CID 59363494
1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]ethanone
CID 165143384
4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 166107369
1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine
CID 59363452
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
benzyl (3S,4S)-3-fluoro-4-[6-fluoro-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidine-1-carboxylate
CID 67302393

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde?
The IUPAC name of 8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde (CID 86638607) is 8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde.
What is the SMILES notation for 8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde?
The canonical SMILES for 8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde is COCCOc1ccn2c(-c3cc(C=O)c4cccc(OC)c4n3)cnc2c1.
What is the InChIKey of 8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde?
The InChIKey is UCXYVGAAZZUQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-26-8-9-28-15-6-7-24-18(12-22-20(24)11-15)17-10-14(13-25)16-4-3-5-19(27-2)21(16)23-17/h3-7,10-13H,8-9H2,1-2H3.
What are the key properties of 8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde?
8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde has a molecular weight of 377.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde is sourced from PubChem (CID 86638607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).