6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline

C18H22N4O — CID 46239427

IUPAC6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCCC3)c2c1
InChIInChI=1S/C18H22N4O/c1-11-8-13(23-3)9-14-15(10-22-6-4-5-7-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)
InChIKeyZBGCKIHSROAHDB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.33
Rot. Bonds3

About 6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline

6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline (PubChem CID 46239427) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline
PubChem CID46239427
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCCC3)c2c1
InChIInChI=1S/C18H22N4O/c1-11-8-13(23-3)9-14-15(10-22-6-4-5-7-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)
InChIKeyZBGCKIHSROAHDB-UHFFFAOYSA-N
XLogP3.33
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 46239428
CID 46239428
6-Methoxy-3,8-Dimethyl-4-(Morpholin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]quinoline
CID 44243146
N-[6-methoxy-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-3-methylbutanamide
CID 1398674
N-[6-methoxy-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-2,2-dimethylpropanamide
CID 1409797
N-(6-methoxy-1-propylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
CID 1414939
6-Methoxy-3,8-Dimethyl-4-(Piperazin-1-Yl)-1h-Pyrazolo[3,4-B]quinoline
CID 46239840
1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine
CID 46239329
[4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol
CID 46239531
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 57390415
[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-yl]methanamine
CID 57393964
4-[[6-(2-methoxyethoxy)-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl]methyl]-1,4-oxazepane
CID 57394695
(2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol
CID 57402038

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline (CID 46239427) is 6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline is COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCCC3)c2c1.
What is the InChIKey of 6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline?
The InChIKey is ZBGCKIHSROAHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-11-8-13(23-3)9-14-15(10-22-6-4-5-7-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21).
What are the key properties of 6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline?
6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline has a molecular weight of 310.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,8-dimethyl-4-(pyrrolidin-1-ylmethyl)-2H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 46239427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).