6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine

C20H26N4O2 — CID 46239126

IUPAC6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(NCCC3CCOCC3)c2c1
InChIInChI=1S/C20H26N4O2/c1-12-10-15(25-3)11-16-18(12)22-20-17(13(2)23-24-20)19(16)21-7-4-14-5-8-26-9-6-14/h10-11,14H,4-9H2,1-3H3,(H2,21,22,23,24)
InChIKeyQOJRQCFGSFHOLY-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.97
Rot. Bonds5

About 6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine

6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine (PubChem CID 46239126) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine
PubChem CID46239126
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(NCCC3CCOCC3)c2c1
InChIInChI=1S/C20H26N4O2/c1-12-10-15(25-3)11-16-18(12)22-20-17(13(2)23-24-20)19(16)21-7-4-14-5-8-26-9-6-14/h10-11,14H,4-9H2,1-3H3,(H2,21,22,23,24)
InChIKeyQOJRQCFGSFHOLY-UHFFFAOYSA-N
XLogP3.97
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine with MolForge

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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
N-(1-butyl-6-methoxypyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide
CID 1624464
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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine?
The IUPAC name of 6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine (CID 46239126) is 6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine.
What is the SMILES notation for 6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine?
The canonical SMILES for 6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine is COc1cc(C)c2nc3n[nH]c(C)c3c(NCCC3CCOCC3)c2c1.
What is the InChIKey of 6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine?
The InChIKey is QOJRQCFGSFHOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-12-10-15(25-3)11-16-18(12)22-20-17(13(2)23-24-20)19(16)21-7-4-14-5-8-26-9-6-14/h10-11,14H,4-9H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine?
6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine has a molecular weight of 354.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,8-dimethyl-N-[2-(oxan-4-yl)ethyl]-2H-pyrazolo[3,4-b]quinolin-4-amine is sourced from PubChem (CID 46239126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).