6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine

C19H25N5O — CID 46239123

IUPAC6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(NCC3CCNCC3)c2c1
InChIInChI=1S/C19H25N5O/c1-11-8-14(25-3)9-15-17(11)22-19-16(12(2)23-24-19)18(15)21-10-13-4-6-20-7-5-13/h8-9,13,20H,4-7,10H2,1-3H3,(H2,21,22,23,24)
InChIKeyOMCOUOOGAGOGRF-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.15
Rot. Bonds4

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

6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine (PubChem CID 46239123) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
PubChem CID46239123
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(NCC3CCNCC3)c2c1
InChIInChI=1S/C19H25N5O/c1-11-8-14(25-3)9-15-17(11)22-19-16(12(2)23-24-19)18(15)21-10-13-4-6-20-7-5-13/h8-9,13,20H,4-7,10H2,1-3H3,(H2,21,22,23,24)
InChIKeyOMCOUOOGAGOGRF-UHFFFAOYSA-N
XLogP3.15
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine?
The IUPAC name of 6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine (CID 46239123) is 6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine.
What is the SMILES notation for 6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine?
The canonical SMILES for 6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine is COc1cc(C)c2nc3n[nH]c(C)c3c(NCC3CCNCC3)c2c1.
What is the InChIKey of 6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine?
The InChIKey is OMCOUOOGAGOGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-11-8-14(25-3)9-15-17(11)22-19-16(12(2)23-24-19)18(15)21-10-13-4-6-20-7-5-13/h8-9,13,20H,4-7,10H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine?
6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine has a molecular weight of 339.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,8-dimethyl-N-(piperidin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine is sourced from PubChem (CID 46239123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).