2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide

C21H17N5O3 — CID 56592172

IUPAC2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3CC(N)=O)c2cc1OC
InChIInChI=1S/C21H17N5O3/c1-28-17-7-14-15(8-18(17)29-2)24-10-16-20(14)21(25-26(16)11-19(23)27)13-5-3-12(9-22)4-6-13/h3-8,10H,11H2,1-2H3,(H2,23,27)
InChIKeyXNELGLOEZXJBHI-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.63
Rot. Bonds5

About 2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide

2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide (PubChem CID 56592172) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide
PubChem CID56592172
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3CC(N)=O)c2cc1OC
InChIInChI=1S/C21H17N5O3/c1-28-17-7-14-15(8-18(17)29-2)24-10-16-20(14)21(25-26(16)11-19(23)27)13-5-3-12(9-22)4-6-13/h3-8,10H,11H2,1-2H3,(H2,23,27)
InChIKeyXNELGLOEZXJBHI-UHFFFAOYSA-N
XLogP2.63
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843
4-[(3-Aminophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328848
4-{[3-(Dimethylamino)phenyl]amino}-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328849
6,7-Dimethoxy-4-[(4-methylphenyl)amino]quinoline-3-carbonitrile
CID 5328854
6,7-Dimethoxy-4-{[4-(propan-2-yl)phenyl]amino}quinoline-3-carbonitrile
CID 5328863
6,7-Dimethoxy-4-{[2-(propan-2-yl)phenyl]amino}quinoline-3-carbonitrile
CID 5328864
4-[(3-Cyanophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328845
4-[(3-Azidophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328871
4-(3-Acetamidophenylamino)-6,7-dimethoxy-3-quinolinecarbonitrile
CID 5328872
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide
CID 57401808
3-(4-Fluorophenyl)-7,8-dimethoxy-5-[(4-methylphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2136907
6,7-Dimethoxy-4-[(4-methoxyphenyl)amino]quinoline-3-carbonitrile
CID 44279881

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide?
The IUPAC name of 2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide (CID 56592172) is 2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide?
The canonical SMILES for 2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide is COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3CC(N)=O)c2cc1OC.
What is the InChIKey of 2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide?
The InChIKey is XNELGLOEZXJBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-28-17-7-14-15(8-18(17)29-2)24-10-16-20(14)21(25-26(16)11-19(23)27)13-5-3-12(9-22)4-6-13/h3-8,10H,11H2,1-2H3,(H2,23,27).
What are the key properties of 2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide?
2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide has a molecular weight of 387.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-3-yl]acetamide is sourced from PubChem (CID 56592172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).