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

C16H17ClN4O4 — CID 23647230

IUPACethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate
SMILESCCOC(=O)NCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C16H17ClN4O4/c1-3-25-16(23)18-7-6-11-13-14(22)10-8-9(17)4-5-12(10)21(24)15(13)20(2)19-11/h4-5,8,24H,3,6-7H2,1-2H3,(H,18,23)
InChIKeyWWEYQSXXSNNMKG-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.07
Rot. Bonds4

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

ethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate (PubChem CID 23647230) has the molecular formula C16H17ClN4O4 and a molecular weight of 364.79 g/mol. Its IUPAC name is ethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate
PubChem CID23647230
Molecular FormulaC16H17ClN4O4
Molecular Weight364.79 g/mol
Exact Mass364.09
IUPAC Nameethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate
SMILESCCOC(=O)NCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O
InChIInChI=1S/C16H17ClN4O4/c1-3-25-16(23)18-7-6-11-13-14(22)10-8-9(17)4-5-12(10)21(24)15(13)20(2)19-11/h4-5,8,24H,3,6-7H2,1-2H3,(H,18,23)
InChIKeyWWEYQSXXSNNMKG-UHFFFAOYSA-N
XLogP2.07
TPSA98.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 ethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate (CID 23647230) is ethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate is CCOC(=O)NCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O.
What is the InChIKey of ethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate?
The InChIKey is WWEYQSXXSNNMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O4/c1-3-25-16(23)18-7-6-11-13-14(22)10-8-9(17)4-5-12(10)21(24)15(13)20(2)19-11/h4-5,8,24H,3,6-7H2,1-2H3,(H,18,23).
What are the key properties of ethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate?
ethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate has a molecular weight of 364.79 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(6-chloro-9-hydroxy-1-methyl-4-oxopyrazolo[5,4-b]quinolin-3-yl)ethyl]carbamate is sourced from PubChem (CID 23647230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).