4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile

C21H18N4O2 — CID 56592002

IUPAC4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESCCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21
InChIInChI=1S/C21H18N4O2/c1-4-25-17-12-23-16-10-19(27-3)18(26-2)9-15(16)20(17)21(24-25)14-7-5-13(11-22)6-8-14/h5-10,12H,4H2,1-3H3
InChIKeyIWLICNGFCMBDEP-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.16
Rot. Bonds4

About 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile

4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile (PubChem CID 56592002) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile
PubChem CID56592002
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESCCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21
InChIInChI=1S/C21H18N4O2/c1-4-25-17-12-23-16-10-19(27-3)18(26-2)9-15(16)20(17)21(24-25)14-7-5-13(11-22)6-8-14/h5-10,12H,4H2,1-3H3
InChIKeyIWLICNGFCMBDEP-UHFFFAOYSA-N
XLogP4.16
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The IUPAC name of 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile (CID 56592002) is 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile.
What is the SMILES notation for 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The canonical SMILES for 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile is CCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21.
What is the InChIKey of 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The InChIKey is IWLICNGFCMBDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-4-25-17-12-23-16-10-19(27-3)18(26-2)9-15(16)20(17)21(24-25)14-7-5-13(11-22)6-8-14/h5-10,12H,4H2,1-3H3.
What are the key properties of 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile has a molecular weight of 358.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile is sourced from PubChem (CID 56592002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).