4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile

C22H20N4O2 — CID 56592006

IUPAC4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C(C)C)c2cc1OC
InChIInChI=1S/C22H20N4O2/c1-13(2)26-18-12-24-17-10-20(28-4)19(27-3)9-16(17)21(18)22(25-26)15-7-5-14(11-23)6-8-15/h5-10,12-13H,1-4H3
InChIKeyHYHXGRSRCUEONR-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.72
Rot. Bonds4

About 4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile

4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile (PubChem CID 56592006) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
PubChem CID56592006
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C(C)C)c2cc1OC
InChIInChI=1S/C22H20N4O2/c1-13(2)26-18-12-24-17-10-20(28-4)19(27-3)9-16(17)21(18)22(25-26)15-7-5-14(11-23)6-8-15/h5-10,12-13H,1-4H3
InChIKeyHYHXGRSRCUEONR-UHFFFAOYSA-N
XLogP4.72
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The IUPAC name of 4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile (CID 56592006) is 4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile.
What is the SMILES notation for 4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The canonical SMILES for 4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile is COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C(C)C)c2cc1OC.
What is the InChIKey of 4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The InChIKey is HYHXGRSRCUEONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13(2)26-18-12-24-17-10-20(28-4)19(27-3)9-16(17)21(18)22(25-26)15-7-5-14(11-23)6-8-15/h5-10,12-13H,1-4H3.
What are the key properties of 4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile has a molecular weight of 372.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethoxy-3-propan-2-ylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile is sourced from PubChem (CID 56592006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).