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

C17H20N4O2 — CID 46239939

IUPAC4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(N3CCOCC3)c2c1
InChIInChI=1S/C17H20N4O2/c1-10-8-12(22-3)9-13-15(10)18-17-14(11(2)19-20-17)16(13)21-4-6-23-7-5-21/h8-9H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyRREZBRULLHXGQL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.57
Rot. Bonds2

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

4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine (PubChem CID 46239939) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine.

Molecular Properties

Compound Name4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine
PubChem CID46239939
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(N3CCOCC3)c2c1
InChIInChI=1S/C17H20N4O2/c1-10-8-12(22-3)9-13-15(10)18-17-14(11(2)19-20-17)16(13)21-4-6-23-7-5-21/h8-9H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyRREZBRULLHXGQL-UHFFFAOYSA-N
XLogP2.57
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine?
The IUPAC name of 4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine (CID 46239939) is 4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine.
What is the SMILES notation for 4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine?
The canonical SMILES for 4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine is COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCOCC3)c2c1.
What is the InChIKey of 4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine?
The InChIKey is RREZBRULLHXGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-8-12(22-3)9-13-15(10)18-17-14(11(2)19-20-17)16(13)21-4-6-23-7-5-21/h8-9H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of 4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine?
4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine has a molecular weight of 312.37 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)morpholine is sourced from PubChem (CID 46239939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).