4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile

C20H14F2N4O2 — CID 56592173

IUPAC4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C(F)F)c2cc1OC
InChIInChI=1S/C20H14F2N4O2/c1-27-16-7-13-14(8-17(16)28-2)24-10-15-18(13)19(25-26(15)20(21)22)12-5-3-11(9-23)4-6-12/h3-8,10,20H,1-2H3
InChIKeyIMNAXKAJFDFYDO-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.54
Rot. Bonds4

About 4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile

4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile (PubChem CID 56592173) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile
PubChem CID56592173
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C(F)F)c2cc1OC
InChIInChI=1S/C20H14F2N4O2/c1-27-16-7-13-14(8-17(16)28-2)24-10-15-18(13)19(25-26(15)20(21)22)12-5-3-11(9-23)4-6-12/h3-8,10,20H,1-2H3
InChIKeyIMNAXKAJFDFYDO-UHFFFAOYSA-N
XLogP4.54
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
The IUPAC name of 4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile (CID 56592173) is 4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile.
What is the SMILES notation for 4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
The canonical SMILES for 4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile is COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C(F)F)c2cc1OC.
What is the InChIKey of 4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
The InChIKey is IMNAXKAJFDFYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-27-16-7-13-14(8-17(16)28-2)24-10-15-18(13)19(25-26(15)20(21)22)12-5-3-11(9-23)4-6-12/h3-8,10,20H,1-2H3.
What are the key properties of 4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile has a molecular weight of 380.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 56592173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).