1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol

C18H22N4O2 — CID 46239125

IUPAC1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(N3CCC(O)CC3)c2c1
InChIInChI=1S/C18H22N4O2/c1-10-8-13(24-3)9-14-16(10)19-18-15(11(2)20-21-18)17(14)22-6-4-12(23)5-7-22/h8-9,12,23H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyRTCLTLAICFOEFG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.70
Rot. Bonds2

About 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol

1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol (PubChem CID 46239125) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol
PubChem CID46239125
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(N3CCC(O)CC3)c2c1
InChIInChI=1S/C18H22N4O2/c1-10-8-13(24-3)9-14-16(10)19-18-15(11(2)20-21-18)17(14)22-6-4-12(23)5-7-22/h8-9,12,23H,4-7H2,1-3H3,(H,19,20,21)
InChIKeyRTCLTLAICFOEFG-UHFFFAOYSA-N
XLogP2.70
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol 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-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
(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanone
CID 57399873
(2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol
CID 57402038
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol (CID 46239125) is 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol is COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCC(O)CC3)c2c1.
What is the InChIKey of 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol?
The InChIKey is RTCLTLAICFOEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-10-8-13(24-3)9-14-16(10)19-18-15(11(2)20-21-18)17(14)22-6-4-12(23)5-7-22/h8-9,12,23H,4-7H2,1-3H3,(H,19,20,21).
What are the key properties of 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol?
1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol has a molecular weight of 326.40 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-ol is sourced from PubChem (CID 46239125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).