6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde

C22H20N4O3 — CID 144777697

IUPAC6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde
SMILESCCCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1
InChIInChI=1S/C22H20N4O3/c1-2-11-28-15-26-21(9-10-24-26)17-4-8-22(23-13-17)29-19-6-7-20-16(12-19)3-5-18(14-27)25-20/h3-10,12-14H,2,11,15H2,1H3
InChIKeyCPMNUQAIEDPZQC-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.48
Rot. Bonds8

About 6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde

6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde (PubChem CID 144777697) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde
PubChem CID144777697
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde
SMILESCCCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1
InChIInChI=1S/C22H20N4O3/c1-2-11-28-15-26-21(9-10-24-26)17-4-8-22(23-13-17)29-19-6-7-20-16(12-19)3-5-18(14-27)25-20/h3-10,12-14H,2,11,15H2,1H3
InChIKeyCPMNUQAIEDPZQC-UHFFFAOYSA-N
XLogP4.48
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.48
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

3-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methylamino]propanenitrile
CID 123594014
deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde
CID 158609056
2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid
CID 150095031
6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde
CID 141469337
azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-methyl-methylidene-λ4-sulfane;molecular hydrogen
CID 144777706
methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperazin-1-yl]ethanone
CID 161371729
2-ethoxyacetaldehyde;2-[(4-methylpiperazin-1-yl)methyl]-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline
CID 144777651
1-methylcyclopentan-1-ol;4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carbaldehyde
CID 144777673
2-(4-methoxybutan-2-yl)-6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline
CID 90024499
1-methylcyclopentane-1-carbonitrile;4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carbaldehyde
CID 144777672
1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone
CID 68761204
2-[methyl-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinolin-2-yl]methyl]amino]acetamide
CID 72950514

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde?
The IUPAC name of 6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde (CID 144777697) is 6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde.
What is the SMILES notation for 6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde?
The canonical SMILES for 6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde is CCCOCn1nccc1-c1ccc(Oc2ccc3nc(C=O)ccc3c2)nc1.
What is the InChIKey of 6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde?
The InChIKey is CPMNUQAIEDPZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-2-11-28-15-26-21(9-10-24-26)17-4-8-22(23-13-17)29-19-6-7-20-16(12-19)3-5-18(14-27)25-20/h3-10,12-14H,2,11,15H2,1H3.
What are the key properties of 6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde?
6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde has a molecular weight of 388.43 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde is sourced from PubChem (CID 144777697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).