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

C22H18N4O2 — CID 56592088

IUPAC4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESC=CCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21
InChIInChI=1S/C22H18N4O2/c1-4-9-26-18-13-24-17-11-20(28-3)19(27-2)10-16(17)21(18)22(25-26)15-7-5-14(12-23)6-8-15/h4-8,10-11,13H,1,9H2,2-3H3
InChIKeyRZGWVBZGNYWIGM-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.33
Rot. Bonds5

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

4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile (PubChem CID 56592088) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
PubChem CID56592088
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESC=CCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21
InChIInChI=1S/C22H18N4O2/c1-4-9-26-18-13-24-17-11-20(28-3)19(27-2)10-16(17)21(18)22(25-26)15-7-5-14(12-23)6-8-15/h4-8,10-11,13H,1,9H2,2-3H3
InChIKeyRZGWVBZGNYWIGM-UHFFFAOYSA-N
XLogP4.33
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The IUPAC name of 4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile (CID 56592088) is 4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile.
What is the SMILES notation for 4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The canonical SMILES for 4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile is C=CCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21.
What is the InChIKey of 4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The InChIKey is RZGWVBZGNYWIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-4-9-26-18-13-24-17-11-20(28-3)19(27-2)10-16(17)21(18)22(25-26)15-7-5-14(12-23)6-8-15/h4-8,10-11,13H,1,9H2,2-3H3.
What are the key properties of 4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
4-(7,8-dimethoxy-3-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile has a molecular weight of 370.41 g/mol, XLogP of 4.33, 5 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-prop-2-enylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile is sourced from PubChem (CID 56592088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).