6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde

C18H12N4O2 — CID 144777660

IUPAC6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde
SMILESO=Cc1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1
InChIInChI=1S/C18H12N4O2/c23-11-14-3-1-12-9-15(4-5-16(12)21-14)24-18-6-2-13(10-19-18)17-7-8-20-22-17/h1-11H,(H,20,22)
InChIKeyYTYWPKBQLNRBAV-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.62
Rot. Bonds4

About 6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde

6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde (PubChem CID 144777660) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde.

Molecular Properties

Compound Name6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde
PubChem CID144777660
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde
SMILESO=Cc1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1
InChIInChI=1S/C18H12N4O2/c23-11-14-3-1-12-9-15(4-5-16(12)21-14)24-18-6-2-13(10-19-18)17-7-8-20-22-17/h1-11H,(H,20,22)
InChIKeyYTYWPKBQLNRBAV-UHFFFAOYSA-N
XLogP3.62
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
4-(Furan-3-Yl)-3-Phenyl-2~{h}-Pyrazolo[4,3-C]pyridine
CID 119025602
N-methyl-3-pyridin-4-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56596227
N-methyl-3-pyridin-2-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 56596231
N-methyl-3-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 67124352
US11866436, Example 177
CID 164915228
2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N-(4-methoxy-2-methylphenyl)-4-quinolinecarboxamide
CID 19582704
5-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127034979
7-[(6-Methoxy-3-pyridinyl)methyl]-4-(1-methyl-1H-pyrazol-4-yl)-2-quinolinecarboxamide
CID 89554921
US9573957, Example 129
CID 117819833
US9573957, Example 149
CID 117820243
US9573957, Example 128
CID 117820536

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde?
The IUPAC name of 6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde (CID 144777660) is 6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde.
What is the SMILES notation for 6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde?
The canonical SMILES for 6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde is O=Cc1ccc2cc(Oc3ccc(-c4ccn[nH]4)cn3)ccc2n1.
What is the InChIKey of 6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde?
The InChIKey is YTYWPKBQLNRBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-11-14-3-1-12-9-15(4-5-16(12)21-14)24-18-6-2-13(10-19-18)17-7-8-20-22-17/h1-11H,(H,20,22).
What are the key properties of 6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde?
6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde has a molecular weight of 316.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]quinoline-2-carbaldehyde is sourced from PubChem (CID 144777660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).