8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C18H11N3O — CID 11778675

IUPAC8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESC#Cc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1
InChIInChI=1S/C18H11N3O/c1-2-12-8-9-16-14(10-12)17-15(11-19-16)18(22)21(20-17)13-6-4-3-5-7-13/h1,3-11,20H
InChIKeyRNQHUSODACVFBQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.85
Rot. Bonds1

About 8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 11778675) has the molecular formula C18H11N3O and a molecular weight of 285.31 g/mol. Its IUPAC name is 8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID11778675
Molecular FormulaC18H11N3O
Molecular Weight285.31 g/mol
Exact Mass285.09
IUPAC Name8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESC#Cc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1
InChIInChI=1S/C18H11N3O/c1-2-12-8-9-16-14(10-12)17-15(11-19-16)18(22)21(20-17)13-6-4-3-5-7-13/h1,3-11,20H
InChIKeyRNQHUSODACVFBQ-UHFFFAOYSA-N
XLogP2.85
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 11778675) is 8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is C#Cc1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1.
What is the InChIKey of 8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is RNQHUSODACVFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O/c1-2-12-8-9-16-14(10-12)17-15(11-19-16)18(22)21(20-17)13-6-4-3-5-7-13/h1,3-11,20H.
What are the key properties of 8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 285.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 11778675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).