2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile

C24H23N5O — CID 44593920

IUPAC2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile
SMILESCC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(N5CCOCC5)cc4c23)cc1
InChIInChI=1S/C24H23N5O/c1-24(2,15-25)17-5-3-16(4-6-17)23-22-19-13-18(29-9-11-30-12-10-29)7-8-20(19)26-14-21(22)27-28-23/h3-8,13-14H,9-12H2,1-2H3,(H,27,28)
InChIKeyJFZOQJMQMZUZHP-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.42
Rot. Bonds3

About 2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile

2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile (PubChem CID 44593920) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile
PubChem CID44593920
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile
SMILESCC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(N5CCOCC5)cc4c23)cc1
InChIInChI=1S/C24H23N5O/c1-24(2,15-25)17-5-3-16(4-6-17)23-22-19-13-18(29-9-11-30-12-10-29)7-8-20(19)26-14-21(22)27-28-23/h3-8,13-14H,9-12H2,1-2H3,(H,27,28)
InChIKeyJFZOQJMQMZUZHP-UHFFFAOYSA-N
XLogP4.42
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile (CID 44593920) is 2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile is CC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(N5CCOCC5)cc4c23)cc1.
What is the InChIKey of 2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile?
The InChIKey is JFZOQJMQMZUZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-24(2,15-25)17-5-3-16(4-6-17)23-22-19-13-18(29-9-11-30-12-10-29)7-8-20(19)26-14-21(22)27-28-23/h3-8,13-14H,9-12H2,1-2H3,(H,27,28).
What are the key properties of 2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile?
2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile has a molecular weight of 397.48 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile is sourced from PubChem (CID 44593920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).