4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline

C12H10ClN3O — CID 510448

IUPAC4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1ccc2nc3n[nH]c(C)c3c(Cl)c2c1
InChIInChI=1S/C12H10ClN3O/c1-6-10-11(13)8-5-7(17-2)3-4-9(8)14-12(10)16-15-6/h3-5H,1-2H3,(H,14,15,16)
InChIKeyBQZVEXXIPVMBRN-UHFFFAOYSA-N
MW247.69 g/mol
LogP3.08
Rot. Bonds1

About 4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline

4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline (PubChem CID 510448) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline
PubChem CID510448
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1ccc2nc3n[nH]c(C)c3c(Cl)c2c1
InChIInChI=1S/C12H10ClN3O/c1-6-10-11(13)8-5-7(17-2)3-4-9(8)14-12(10)16-15-6/h3-5H,1-2H3,(H,14,15,16)
InChIKeyBQZVEXXIPVMBRN-UHFFFAOYSA-N
XLogP3.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 46239428
CID 46239428
6-Methoxy-3,8-Dimethyl-4-(Morpholin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]quinoline
CID 44243146
N-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327841
N-(6-methoxy-1-propylpyrazolo[3,4-b]quinolin-3-yl)-2-methylpropanamide
CID 1414939
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
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
Ras/Rac Transformation Blocker, SCH 51344
CID 9995890

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline (CID 510448) is 4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline is COc1ccc2nc3n[nH]c(C)c3c(Cl)c2c1.
What is the InChIKey of 4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline?
The InChIKey is BQZVEXXIPVMBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-6-10-11(13)8-5-7(17-2)3-4-9(8)14-12(10)16-15-6/h3-5H,1-2H3,(H,14,15,16).
What are the key properties of 4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline?
4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline has a molecular weight of 247.69 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 510448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).