N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine

C18H16N4O — CID 2794231

IUPACN-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine
SMILESCOc1ccc(Nc2c3ccccc3nc3n[nH]c(C)c23)cc1
InChIInChI=1S/C18H16N4O/c1-11-16-17(19-12-7-9-13(23-2)10-8-12)14-5-3-4-6-15(14)20-18(16)22-21-11/h3-10H,1-2H3,(H2,19,20,21,22)
InChIKeyYVLXGSFZSYVKKG-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.17
Rot. Bonds3

About N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine

N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine (PubChem CID 2794231) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine
PubChem CID2794231
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine
SMILESCOc1ccc(Nc2c3ccccc3nc3n[nH]c(C)c23)cc1
InChIInChI=1S/C18H16N4O/c1-11-16-17(19-12-7-9-13(23-2)10-8-12)14-5-3-4-6-15(14)20-18(16)22-21-11/h3-10H,1-2H3,(H2,19,20,21,22)
InChIKeyYVLXGSFZSYVKKG-UHFFFAOYSA-N
XLogP4.17
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,5-Dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine
CID 24786010
CID 46239428
CID 46239428
6-Methoxy-3,8-Dimethyl-4-(Morpholin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]quinoline
CID 44243146
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
N-[6-methoxy-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-3-methylbutanamide
CID 1398674
N-[6-methoxy-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-2,2-dimethylpropanamide
CID 1409797
N-(6-methoxy-1-propylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
CID 1414939
N-(1-butyl-6-methoxypyrazolo[3,4-b]quinolin-3-yl)-2-methoxyacetamide
CID 1624464
N-[6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539570
N-(4-methoxyphenyl)-4-(pyrrolidin-1-yl)quinazolin-2-amine hydrochloride
CID 6602960
6-Methoxy-3,8-Dimethyl-4-(Piperazin-1-Yl)-1h-Pyrazolo[3,4-B]quinoline
CID 46239840
5-(3,5-Dimethoxybenzyl)[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 67042932

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine (CID 2794231) is N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine is COc1ccc(Nc2c3ccccc3nc3n[nH]c(C)c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine?
The InChIKey is YVLXGSFZSYVKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-16-17(19-12-7-9-13(23-2)10-8-12)14-5-3-4-6-15(14)20-18(16)22-21-11/h3-10H,1-2H3,(H2,19,20,21,22).
What are the key properties of N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine?
N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine has a molecular weight of 304.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-amine is sourced from PubChem (CID 2794231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).