5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one

C17H19ClN4O — CID 22713916

IUPAC5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)n(C1CCCC(N)C1)c1cccc(Cl)c21
InChIInChI=1S/C17H19ClN4O/c1-9-14-16(21-20-9)15-12(18)6-3-7-13(15)22(17(14)23)11-5-2-4-10(19)8-11/h3,6-7,10-11H,2,4-5,8,19H2,1H3,(H,20,21)
InChIKeyOGBXGAGVAJDDQI-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.28
Rot. Bonds1

About 5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one

5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 22713916) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID22713916
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)n(C1CCCC(N)C1)c1cccc(Cl)c21
InChIInChI=1S/C17H19ClN4O/c1-9-14-16(21-20-9)15-12(18)6-3-7-13(15)22(17(14)23)11-5-2-4-10(19)8-11/h3,6-7,10-11H,2,4-5,8,19H2,1H3,(H,20,21)
InChIKeyOGBXGAGVAJDDQI-UHFFFAOYSA-N
XLogP3.28
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one (CID 22713916) is 5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one is Cc1[nH]nc2c1c(=O)n(C1CCCC(N)C1)c1cccc(Cl)c21.
What is the InChIKey of 5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is OGBXGAGVAJDDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-9-14-16(21-20-9)15-12(18)6-3-7-13(15)22(17(14)23)11-5-2-4-10(19)8-11/h3,6-7,10-11H,2,4-5,8,19H2,1H3,(H,20,21).
What are the key properties of 5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one?
5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 330.82 g/mol, XLogP of 3.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminocyclohexyl)-9-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 22713916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).