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

C22H20N4O3 — CID 56592175

IUPAC4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile
SMILESCOCc1cc(-c2nn(C)c3cnc4cc(OC)c(OC)cc4c23)ccc1C#N
InChIInChI=1S/C22H20N4O3/c1-26-18-11-24-17-9-20(29-4)19(28-3)8-16(17)21(18)22(25-26)13-5-6-14(10-23)15(7-13)12-27-2/h5-9,11H,12H2,1-4H3
InChIKeyLVLAFNLJIXGBKW-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.82
Rot. Bonds5

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

4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile (PubChem CID 56592175) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile.

Molecular Properties

Compound Name4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile
PubChem CID56592175
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile
SMILESCOCc1cc(-c2nn(C)c3cnc4cc(OC)c(OC)cc4c23)ccc1C#N
InChIInChI=1S/C22H20N4O3/c1-26-18-11-24-17-9-20(29-4)19(28-3)8-16(17)21(18)22(25-26)13-5-6-14(10-23)15(7-13)12-27-2/h5-9,11H,12H2,1-4H3
InChIKeyLVLAFNLJIXGBKW-UHFFFAOYSA-N
XLogP3.82
TPSA82.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile?
The IUPAC name of 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile (CID 56592175) is 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile.
What is the SMILES notation for 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile?
The canonical SMILES for 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile is COCc1cc(-c2nn(C)c3cnc4cc(OC)c(OC)cc4c23)ccc1C#N.
What is the InChIKey of 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile?
The InChIKey is LVLAFNLJIXGBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-26-18-11-24-17-9-20(29-4)19(28-3)8-16(17)21(18)22(25-26)13-5-6-14(10-23)15(7-13)12-27-2/h5-9,11H,12H2,1-4H3.
What are the key properties of 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile?
4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile has a molecular weight of 388.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)-2-(methoxymethyl)benzonitrile is sourced from PubChem (CID 56592175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).