5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one

C18H16N4O2 — CID 71539911

IUPAC5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCn1c(=O)c2cn[nH]c2c2ccc(-c3cncc(OC)c3)cc21
InChIInChI=1S/C18H16N4O2/c1-3-22-16-7-11(12-6-13(24-2)9-19-8-12)4-5-14(16)17-15(18(22)23)10-20-21-17/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyBGVMDQYRLQJRQS-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.97
Rot. Bonds3

About 5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one

5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 71539911) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID71539911
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESCCn1c(=O)c2cn[nH]c2c2ccc(-c3cncc(OC)c3)cc21
InChIInChI=1S/C18H16N4O2/c1-3-22-16-7-11(12-6-13(24-2)9-19-8-12)4-5-14(16)17-15(18(22)23)10-20-21-17/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyBGVMDQYRLQJRQS-UHFFFAOYSA-N
XLogP2.97
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one (CID 71539911) is 5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one is CCn1c(=O)c2cn[nH]c2c2ccc(-c3cncc(OC)c3)cc21.
What is the InChIKey of 5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is BGVMDQYRLQJRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-3-22-16-7-11(12-6-13(24-2)9-19-8-12)4-5-14(16)17-15(18(22)23)10-20-21-17/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of 5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one?
5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 320.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 71539911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).