1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile

C20H13N5O2 — CID 56592090

IUPAC1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C#N)c2cc1OC
InChIInChI=1S/C20H13N5O2/c1-26-17-7-14-15(8-18(17)27-2)23-10-16-19(14)20(24-25(16)11-22)13-5-3-12(9-21)4-6-13/h3-8,10H,1-2H3
InChIKeyFLKCOQVAEKANBL-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile

1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile (PubChem CID 56592090) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile
PubChem CID56592090
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Name1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C#N)c2cc1OC
InChIInChI=1S/C20H13N5O2/c1-26-17-7-14-15(8-18(17)27-2)23-10-16-19(14)20(24-25(16)11-22)13-5-3-12(9-21)4-6-13/h3-8,10H,1-2H3
InChIKeyFLKCOQVAEKANBL-UHFFFAOYSA-N
XLogP3.47
TPSA96.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile?
The IUPAC name of 1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile (CID 56592090) is 1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile.
What is the SMILES notation for 1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile?
The canonical SMILES for 1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile is COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C#N)c2cc1OC.
What is the InChIKey of 1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile?
The InChIKey is FLKCOQVAEKANBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c1-26-17-7-14-15(8-18(17)27-2)23-10-16-19(14)20(24-25(16)11-22)13-5-3-12(9-21)4-6-13/h3-8,10H,1-2H3.
What are the key properties of 1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile?
1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile has a molecular weight of 355.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-7,8-dimethoxypyrazolo[3,4-c]quinoline-3-carbonitrile is sourced from PubChem (CID 56592090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).