5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one

C16H19ClN4O2 — CID 11279078

IUPAC5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21
InChIInChI=1S/C16H19ClN4O2/c1-23-8-5-12-14-15(20-19-12)11-9-10(17)3-4-13(11)21(16(14)22)7-2-6-18/h3-4,9H,2,5-8,18H2,1H3,(H,19,20)
InChIKeyGSURRHPKSGUIKQ-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.07
Rot. Bonds6

About 5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one

5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 11279078) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID11279078
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21
InChIInChI=1S/C16H19ClN4O2/c1-23-8-5-12-14-15(20-19-12)11-9-10(17)3-4-13(11)21(16(14)22)7-2-6-18/h3-4,9H,2,5-8,18H2,1H3,(H,19,20)
InChIKeyGSURRHPKSGUIKQ-UHFFFAOYSA-N
XLogP2.07
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one (CID 11279078) is 5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one is COCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.
What is the InChIKey of 5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is GSURRHPKSGUIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-23-8-5-12-14-15(20-19-12)11-9-10(17)3-4-13(11)21(16(14)22)7-2-6-18/h3-4,9H,2,5-8,18H2,1H3,(H,19,20).
What are the key properties of 5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?
5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 334.81 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-8-chloro-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 11279078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).