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

C19H14N4O2 — CID 54763438

IUPAC4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3[nH]nc(-c4ccc(C#N)cc4)c3c2cc1OC
InChIInChI=1S/C19H14N4O2/c1-24-16-7-13-14(8-17(16)25-2)21-10-15-18(13)19(23-22-15)12-5-3-11(9-20)4-6-12/h3-8,10H,1-2H3,(H,22,23)
InChIKeyNHIHNNYVDOKOSH-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.67
Rot. Bonds3

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

4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile (PubChem CID 54763438) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile
PubChem CID54763438
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3[nH]nc(-c4ccc(C#N)cc4)c3c2cc1OC
InChIInChI=1S/C19H14N4O2/c1-24-16-7-13-14(8-17(16)25-2)21-10-15-18(13)19(23-22-15)12-5-3-11(9-20)4-6-12/h3-8,10H,1-2H3,(H,22,23)
InChIKeyNHIHNNYVDOKOSH-UHFFFAOYSA-N
XLogP3.67
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.67
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)benzonitrile?
The IUPAC name of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile (CID 54763438) is 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile.
What is the SMILES notation for 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The canonical SMILES for 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile is COc1cc2ncc3[nH]nc(-c4ccc(C#N)cc4)c3c2cc1OC.
What is the InChIKey of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The InChIKey is NHIHNNYVDOKOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-24-16-7-13-14(8-17(16)25-2)21-10-15-18(13)19(23-22-15)12-5-3-11(9-20)4-6-12/h3-8,10H,1-2H3,(H,22,23).
What are the key properties of 4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
4-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzonitrile has a molecular weight of 330.35 g/mol, XLogP of 3.67, 3 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)benzonitrile is sourced from PubChem (CID 54763438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).