3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one

C15H16ClN3O2 — CID 23647218

IUPAC3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one
SMILESCCCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C15H16ClN3O2/c1-3-4-5-11-13-14(20)10-8-9(16)6-7-12(10)19(21)15(13)18(2)17-11/h6-8,21H,3-5H2,1-2H3
InChIKeyGIEMXJAFCBYVBF-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.12
Rot. Bonds3

About 3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one

3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one (PubChem CID 23647218) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one
PubChem CID23647218
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one
SMILESCCCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C15H16ClN3O2/c1-3-4-5-11-13-14(20)10-8-9(16)6-7-12(10)19(21)15(13)18(2)17-11/h6-8,21H,3-5H2,1-2H3
InChIKeyGIEMXJAFCBYVBF-UHFFFAOYSA-N
XLogP3.12
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one (CID 23647218) is 3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one is CCCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O.
What is the InChIKey of 3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one?
The InChIKey is GIEMXJAFCBYVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-3-4-5-11-13-14(20)10-8-9(16)6-7-12(10)19(21)15(13)18(2)17-11/h6-8,21H,3-5H2,1-2H3.
What are the key properties of 3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one?
3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one has a molecular weight of 305.76 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-chloro-9-hydroxy-1-methylpyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 23647218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).