2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C18H11N3O — CID 10107991

IUPAC2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESC#Cc1ccc(-n2[nH]c3c(cnc4ccccc43)c2=O)cc1
InChIInChI=1S/C18H11N3O/c1-2-12-7-9-13(10-8-12)21-18(22)15-11-19-16-6-4-3-5-14(16)17(15)20-21/h1,3-11,20H
InChIKeyZNSSWFZNVYBLJJ-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.85
Rot. Bonds1

About 2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 10107991) has the molecular formula C18H11N3O and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID10107991
Molecular FormulaC18H11N3O
Molecular Weight285.31 g/mol
Exact Mass285.09
IUPAC Name2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESC#Cc1ccc(-n2[nH]c3c(cnc4ccccc43)c2=O)cc1
InChIInChI=1S/C18H11N3O/c1-2-12-7-9-13(10-8-12)21-18(22)15-11-19-16-6-4-3-5-14(16)17(15)20-21/h1,3-11,20H
InChIKeyZNSSWFZNVYBLJJ-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 2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 10107991) is 2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is C#Cc1ccc(-n2[nH]c3c(cnc4ccccc43)c2=O)cc1.
What is the InChIKey of 2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is ZNSSWFZNVYBLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O/c1-2-12-7-9-13(10-8-12)21-18(22)15-11-19-16-6-4-3-5-14(16)17(15)20-21/h1,3-11,20H.
What are the key properties of 2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-ethynylphenyl)-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 2-(4-ethynylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 10107991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).