4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one

C19H15N3O — CID 91824336

IUPAC4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one
SMILESCCc1c(-c2ccccc2)nnc2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C19H15N3O/c1-2-13-16-18(14-10-6-7-11-15(14)20-19(16)23)22-21-17(13)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,20,23)
InChIKeyUAVWENCESKIYIK-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.70
Rot. Bonds2

About 4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one

4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one (PubChem CID 91824336) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one.

Molecular Properties

Compound Name4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one
PubChem CID91824336
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one
SMILESCCc1c(-c2ccccc2)nnc2c1c(=O)[nH]c1ccccc12
InChIInChI=1S/C19H15N3O/c1-2-13-16-18(14-10-6-7-11-15(14)20-19(16)23)22-21-17(13)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,20,23)
InChIKeyUAVWENCESKIYIK-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one?
The IUPAC name of 4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one (CID 91824336) is 4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one.
What is the SMILES notation for 4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one?
The canonical SMILES for 4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one is CCc1c(-c2ccccc2)nnc2c1c(=O)[nH]c1ccccc12.
What is the InChIKey of 4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one?
The InChIKey is UAVWENCESKIYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-2-13-16-18(14-10-6-7-11-15(14)20-19(16)23)22-21-17(13)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,20,23).
What are the key properties of 4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one?
4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one has a molecular weight of 301.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-phenyl-6H-pyridazino[4,3-c]quinolin-5-one is sourced from PubChem (CID 91824336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).