4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile

C21H16N4O2 — CID 66632518

IUPAC4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile
SMILESC=Cc1cc(-c2n[nH]c3cnc4cc(OC)c(OC)cc4c23)ccc1C#N
InChIInChI=1S/C21H16N4O2/c1-4-12-7-13(5-6-14(12)10-22)21-20-15-8-18(26-2)19(27-3)9-16(15)23-11-17(20)24-25-21/h4-9,11H,1H2,2-3H3,(H,24,25)
InChIKeyNKEYFACIBKSVML-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.31
Rot. Bonds4

About 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile

4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile (PubChem CID 66632518) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile.

Molecular Properties

Compound Name4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile
PubChem CID66632518
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile
SMILESC=Cc1cc(-c2n[nH]c3cnc4cc(OC)c(OC)cc4c23)ccc1C#N
InChIInChI=1S/C21H16N4O2/c1-4-12-7-13(5-6-14(12)10-22)21-20-15-8-18(26-2)19(27-3)9-16(15)23-11-17(20)24-25-21/h4-9,11H,1H2,2-3H3,(H,24,25)
InChIKeyNKEYFACIBKSVML-UHFFFAOYSA-N
XLogP4.31
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile?
The IUPAC name of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile (CID 66632518) is 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile.
What is the SMILES notation for 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile?
The canonical SMILES for 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile is C=Cc1cc(-c2n[nH]c3cnc4cc(OC)c(OC)cc4c23)ccc1C#N.
What is the InChIKey of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile?
The InChIKey is NKEYFACIBKSVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-4-12-7-13(5-6-14(12)10-22)21-20-15-8-18(26-2)19(27-3)9-16(15)23-11-17(20)24-25-21/h4-9,11H,1H2,2-3H3,(H,24,25).
What are the key properties of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile?
4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile has a molecular weight of 356.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)-2-ethenylbenzonitrile is sourced from PubChem (CID 66632518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).