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

C22H18N4O2 — CID 56592087

IUPAC4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C3CC3)c2cc1OC
InChIInChI=1S/C22H18N4O2/c1-27-19-9-16-17(10-20(19)28-2)24-12-18-21(16)22(25-26(18)15-7-8-15)14-5-3-13(11-23)4-6-14/h3-6,9-10,12,15H,7-8H2,1-2H3
InChIKeyMANDVVZGQFKHJE-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.48
Rot. Bonds4

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

4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile (PubChem CID 56592087) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile
PubChem CID56592087
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C3CC3)c2cc1OC
InChIInChI=1S/C22H18N4O2/c1-27-19-9-16-17(10-20(19)28-2)24-12-18-21(16)22(25-26(18)15-7-8-15)14-5-3-13(11-23)4-6-14/h3-6,9-10,12,15H,7-8H2,1-2H3
InChIKeyMANDVVZGQFKHJE-UHFFFAOYSA-N
XLogP4.48
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The IUPAC name of 4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile (CID 56592087) is 4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile.
What is the SMILES notation for 4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The canonical SMILES for 4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile is COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C3CC3)c2cc1OC.
What is the InChIKey of 4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
The InChIKey is MANDVVZGQFKHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-27-19-9-16-17(10-20(19)28-2)24-12-18-21(16)22(25-26(18)15-7-8-15)14-5-3-13(11-23)4-6-14/h3-6,9-10,12,15H,7-8H2,1-2H3.
What are the key properties of 4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile?
4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile has a molecular weight of 370.41 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-7,8-dimethoxypyrazolo[3,4-c]quinolin-1-yl)benzonitrile is sourced from PubChem (CID 56592087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).