8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C16H11ClN4O — CID 134508258

IUPAC8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1cc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)ccn1
InChIInChI=1S/C16H11ClN4O/c1-9-6-11(4-5-18-9)21-16(22)13-8-19-14-3-2-10(17)7-12(14)15(13)20-21/h2-8,20H,1H3
InChIKeyAYIIIMPEXSMWDG-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.22
Rot. Bonds1

About 8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one

8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134508258) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID134508258
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1cc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)ccn1
InChIInChI=1S/C16H11ClN4O/c1-9-6-11(4-5-18-9)21-16(22)13-8-19-14-3-2-10(17)7-12(14)15(13)20-21/h2-8,20H,1H3
InChIKeyAYIIIMPEXSMWDG-UHFFFAOYSA-N
XLogP3.22
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134508258) is 8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1cc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)ccn1.
What is the InChIKey of 8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is AYIIIMPEXSMWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c1-9-6-11(4-5-18-9)21-16(22)13-8-19-14-3-2-10(17)7-12(14)15(13)20-21/h2-8,20H,1H3.
What are the key properties of 8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 310.74 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134508258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).