N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide

C20H18N4O2 — CID 943803

IUPACN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nn(C)c3nc4c(C)cccc4cc23)c1
InChIInChI=1S/C20H18N4O2/c1-12-6-4-7-13-11-16-18(23-24(2)19(16)21-17(12)13)22-20(25)14-8-5-9-15(10-14)26-3/h4-11H,1-3H3,(H,22,23,25)
InChIKeyKIDYRVVTXIREKH-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.69
Rot. Bonds3

About N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide

N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide (PubChem CID 943803) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
PubChem CID943803
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nn(C)c3nc4c(C)cccc4cc23)c1
InChIInChI=1S/C20H18N4O2/c1-12-6-4-7-13-11-16-18(23-24(2)19(16)21-17(12)13)22-20(25)14-8-5-9-15(10-14)26-3/h4-11H,1-3H3,(H,22,23,25)
InChIKeyKIDYRVVTXIREKH-UHFFFAOYSA-N
XLogP3.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide
CID 3829391
3-methyl-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide
CID 91710473
methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749076
N-(1,6-dimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide
CID 82018263
3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
N-(6-methoxy-1-propylpyrazolo[5,4-b]quinolin-3-yl)-2-methylbenzamide
CID 1402553
3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1204224
3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
N-(5-iodo-2-methylphenyl)-3-methoxybenzamide
CID 1047120
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678
3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434

Frequently Asked Questions

What is the IUPAC name of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide?
The IUPAC name of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide (CID 943803) is N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2nn(C)c3nc4c(C)cccc4cc23)c1.
What is the InChIKey of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide?
The InChIKey is KIDYRVVTXIREKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-6-4-7-13-11-16-18(23-24(2)19(16)21-17(12)13)22-20(25)14-8-5-9-15(10-14)26-3/h4-11H,1-3H3,(H,22,23,25).
What are the key properties of N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide?
N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide has a molecular weight of 346.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,8-dimethylpyrazolo[3,4-b]quinolin-3-yl)-3-methoxybenzamide is sourced from PubChem (CID 943803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).