3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline

C17H13N3O — CID 13449000

IUPAC3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline
SMILESCc1[nH]nc2nc3ccccc3c(Oc3ccccc3)c12
InChIInChI=1S/C17H13N3O/c1-11-15-16(21-12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-17(15)20-19-11/h2-10H,1H3,(H,18,19,20)
InChIKeyPDEWETOMOOUWEK-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.21
Rot. Bonds2

About 3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline

3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline (PubChem CID 13449000) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline
PubChem CID13449000
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline
SMILESCc1[nH]nc2nc3ccccc3c(Oc3ccccc3)c12
InChIInChI=1S/C17H13N3O/c1-11-15-16(21-12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-17(15)20-19-11/h2-10H,1H3,(H,18,19,20)
InChIKeyPDEWETOMOOUWEK-UHFFFAOYSA-N
XLogP4.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,5-Dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine
CID 24786010
6-Methoxy-3,8-Dimethyl-4-(Morpholin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]quinoline
CID 44243146
3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 22346757
6-Methoxy-3,8-Dimethyl-4-(Piperazin-1-Yl)-1h-Pyrazolo[3,4-B]quinoline
CID 46239840
1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine
CID 46239329
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 57390415
[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-yl]methanamine
CID 57393964
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667631
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine
CID 3566059
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyquinazolin-4-amine
CID 9901505

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline (CID 13449000) is 3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline is Cc1[nH]nc2nc3ccccc3c(Oc3ccccc3)c12.
What is the InChIKey of 3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline?
The InChIKey is PDEWETOMOOUWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-15-16(21-12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-17(15)20-19-11/h2-10H,1H3,(H,18,19,20).
What are the key properties of 3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline?
3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline has a molecular weight of 275.31 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenoxy-2H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 13449000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).