3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde

C18H12N4O — CID 142918416

IUPAC3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1cc(-c2ccnc(-c3cnc4ccccc4c3)c2)n[nH]1
InChIInChI=1S/C18H12N4O/c23-11-15-9-18(22-21-15)13-5-6-19-17(8-13)14-7-12-3-1-2-4-16(12)20-10-14/h1-11H,(H,21,22)
InChIKeyHQVLXCFSNKBLSX-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.50
Rot. Bonds3

About 3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde

3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde (PubChem CID 142918416) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde
PubChem CID142918416
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde
SMILESO=Cc1cc(-c2ccnc(-c3cnc4ccccc4c3)c2)n[nH]1
InChIInChI=1S/C18H12N4O/c23-11-15-9-18(22-21-15)13-5-6-19-17(8-13)14-7-12-3-1-2-4-16(12)20-10-14/h1-11H,(H,21,22)
InChIKeyHQVLXCFSNKBLSX-UHFFFAOYSA-N
XLogP3.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde (CID 142918416) is 3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde is O=Cc1cc(-c2ccnc(-c3cnc4ccccc4c3)c2)n[nH]1.
What is the InChIKey of 3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde?
The InChIKey is HQVLXCFSNKBLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O/c23-11-15-9-18(22-21-15)13-5-6-19-17(8-13)14-7-12-3-1-2-4-16(12)20-10-14/h1-11H,(H,21,22).
What are the key properties of 3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde?
3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde has a molecular weight of 300.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 142918416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).