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

C19H24N4O3 — CID 46239531

IUPAC[4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCOC(CO)C3)c2c1
InChIInChI=1S/C19H24N4O3/c1-11-6-13(25-3)7-15-16(9-23-4-5-26-14(8-23)10-24)17-12(2)21-22-19(17)20-18(11)15/h6-7,14,24H,4-5,8-10H2,1-3H3,(H,20,21,22)
InChIKeyQBPNUOUMHJVJCZ-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.93
Rot. Bonds4

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

[4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol (PubChem CID 46239531) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol
PubChem CID46239531
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCOC(CO)C3)c2c1
InChIInChI=1S/C19H24N4O3/c1-11-6-13(25-3)7-15-16(9-23-4-5-26-14(8-23)10-24)17-12(2)21-22-19(17)20-18(11)15/h6-7,14,24H,4-5,8-10H2,1-3H3,(H,20,21,22)
InChIKeyQBPNUOUMHJVJCZ-UHFFFAOYSA-N
XLogP1.93
TPSA83.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol (CID 46239531) is [4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol is COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCOC(CO)C3)c2c1.
What is the InChIKey of [4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol?
The InChIKey is QBPNUOUMHJVJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11-6-13(25-3)7-15-16(9-23-4-5-26-14(8-23)10-24)17-12(2)21-22-19(17)20-18(11)15/h6-7,14,24H,4-5,8-10H2,1-3H3,(H,20,21,22).
What are the key properties of [4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol?
[4-[(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methyl]morpholin-2-yl]methanol has a molecular weight of 356.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 46239531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).