4-ethoxy-7-pyrazol-1-ylquinoline

C14H13N3O — CID 155778831

IUPAC4-ethoxy-7-pyrazol-1-ylquinoline
SMILESCCOc1ccnc2cc(-n3cccn3)ccc12
InChIInChI=1S/C14H13N3O/c1-2-18-14-6-8-15-13-10-11(4-5-12(13)14)17-9-3-7-16-17/h3-10H,2H2,1H3
InChIKeyHRLMMLWSQSEBEX-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.82
Rot. Bonds3

About 4-ethoxy-7-pyrazol-1-ylquinoline

4-ethoxy-7-pyrazol-1-ylquinoline (PubChem CID 155778831) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-ethoxy-7-pyrazol-1-ylquinoline.

Molecular Properties

Compound Name4-ethoxy-7-pyrazol-1-ylquinoline
PubChem CID155778831
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-ethoxy-7-pyrazol-1-ylquinoline
SMILESCCOc1ccnc2cc(-n3cccn3)ccc12
InChIInChI=1S/C14H13N3O/c1-2-18-14-6-8-15-13-10-11(4-5-12(13)14)17-9-3-7-16-17/h3-10H,2H2,1H3
InChIKeyHRLMMLWSQSEBEX-UHFFFAOYSA-N
XLogP2.82
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-7-pyrazol-1-ylquinoline?
The IUPAC name of 4-ethoxy-7-pyrazol-1-ylquinoline (CID 155778831) is 4-ethoxy-7-pyrazol-1-ylquinoline.
What is the SMILES notation for 4-ethoxy-7-pyrazol-1-ylquinoline?
The canonical SMILES for 4-ethoxy-7-pyrazol-1-ylquinoline is CCOc1ccnc2cc(-n3cccn3)ccc12.
What is the InChIKey of 4-ethoxy-7-pyrazol-1-ylquinoline?
The InChIKey is HRLMMLWSQSEBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-18-14-6-8-15-13-10-11(4-5-12(13)14)17-9-3-7-16-17/h3-10H,2H2,1H3.
What are the key properties of 4-ethoxy-7-pyrazol-1-ylquinoline?
4-ethoxy-7-pyrazol-1-ylquinoline has a molecular weight of 239.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-7-pyrazol-1-ylquinoline is sourced from PubChem (CID 155778831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).