N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide

C15H15ClN4O3 — CID 23647228

IUPACN-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C15H15ClN4O3/c1-8(21)17-6-5-11-13-14(22)10-7-9(16)3-4-12(10)20(23)15(13)19(2)18-11/h3-4,7,23H,5-6H2,1-2H3,(H,17,21)
InChIKeyJHXGGYJKJOYYBQ-UHFFFAOYSA-N
MW334.76 g/mol
LogP1.46
Rot. Bonds3

About N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide

N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide (PubChem CID 23647228) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide
PubChem CID23647228
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC NameN-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C15H15ClN4O3/c1-8(21)17-6-5-11-13-14(22)10-7-9(16)3-4-12(10)20(23)15(13)19(2)18-11/h3-4,7,23H,5-6H2,1-2H3,(H,17,21)
InChIKeyJHXGGYJKJOYYBQ-UHFFFAOYSA-N
XLogP1.46
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 6540289
CID 6540289
CID 136983718
CID 136983718
CID 23647201
CID 23647201
CID 23647216
CID 23647216
CID 23647218
CID 23647218
CID 23647227
CID 23647227
CID 23647229
CID 23647229
CID 23647230
CID 23647230
CID 135939590
CID 135939590
CID 136983699
CID 136983699
CID 137228124
CID 137228124
CID 23647204
CID 23647204

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide (CID 23647228) is N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide is CC(=O)NCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O.
What is the InChIKey of N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide?
The InChIKey is JHXGGYJKJOYYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c1-8(21)17-6-5-11-13-14(22)10-7-9(16)3-4-12(10)20(23)15(13)19(2)18-11/h3-4,7,23H,5-6H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide?
N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide has a molecular weight of 334.76 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]acetamide is sourced from PubChem (CID 23647228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).