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

C14H15ClN4O — CID 11185396

IUPAC5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21
InChIInChI=1S/C14H15ClN4O/c1-8-12-13(18-17-8)10-7-9(15)3-4-11(10)19(14(12)20)6-2-5-16/h3-4,7H,2,5-6,16H2,1H3,(H,17,18)
InChIKeyCHUXKSLQGDKINL-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.19
Rot. Bonds3

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

5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 11185396) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID11185396
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21
InChIInChI=1S/C14H15ClN4O/c1-8-12-13(18-17-8)10-7-9(15)3-4-11(10)19(14(12)20)6-2-5-16/h3-4,7H,2,5-6,16H2,1H3,(H,17,18)
InChIKeyCHUXKSLQGDKINL-UHFFFAOYSA-N
XLogP2.19
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one (CID 11185396) is 5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one is Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21.
What is the InChIKey of 5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is CHUXKSLQGDKINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-8-12-13(18-17-8)10-7-9(15)3-4-11(10)19(14(12)20)6-2-5-16/h3-4,7H,2,5-6,16H2,1H3,(H,17,18).
What are the key properties of 5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 290.75 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 11185396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).