N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

C24H20N4O — CID 71139640

IUPACN-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc2nc(Nc3ccc(Cc4ccccc4)cc3)c3[nH]ncc3c2c1
InChIInChI=1S/C24H20N4O/c1-29-19-11-12-22-20(14-19)21-15-25-28-23(21)24(27-22)26-18-9-7-17(8-10-18)13-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyZEMQDZPLVZSVTQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.45
Rot. Bonds5

About N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine

N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (PubChem CID 71139640) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.

Molecular Properties

Compound NameN-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
PubChem CID71139640
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC NameN-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
SMILESCOc1ccc2nc(Nc3ccc(Cc4ccccc4)cc3)c3[nH]ncc3c2c1
InChIInChI=1S/C24H20N4O/c1-29-19-11-12-22-20(14-19)21-15-25-28-23(21)24(27-22)26-18-9-7-17(8-10-18)13-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyZEMQDZPLVZSVTQ-UHFFFAOYSA-N
XLogP5.45
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The IUPAC name of N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine (CID 71139640) is N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine.
What is the SMILES notation for N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The canonical SMILES for N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is COc1ccc2nc(Nc3ccc(Cc4ccccc4)cc3)c3[nH]ncc3c2c1.
What is the InChIKey of N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
The InChIKey is ZEMQDZPLVZSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-29-19-11-12-22-20(14-19)21-15-25-28-23(21)24(27-22)26-18-9-7-17(8-10-18)13-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine?
N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine has a molecular weight of 380.45 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylphenyl)-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine is sourced from PubChem (CID 71139640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).