3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline

C27H24N4O2 — CID 171775678

IUPAC3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline
SMILESCOc1ccc(-c2nn(-c3ccc4c(c3)CNCC4)c3c2cnc2ccccc23)cc1OC
InChIInChI=1S/C27H24N4O2/c1-32-24-10-8-18(14-25(24)33-2)26-22-16-29-23-6-4-3-5-21(23)27(22)31(30-26)20-9-7-17-11-12-28-15-19(17)13-20/h3-10,13-14,16,28H,11-12,15H2,1-2H3
InChIKeyAAIAGDXMETYTJE-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.90
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline

3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline (PubChem CID 171775678) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline
PubChem CID171775678
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline
SMILESCOc1ccc(-c2nn(-c3ccc4c(c3)CNCC4)c3c2cnc2ccccc23)cc1OC
InChIInChI=1S/C27H24N4O2/c1-32-24-10-8-18(14-25(24)33-2)26-22-16-29-23-6-4-3-5-21(23)27(22)31(30-26)20-9-7-17-11-12-28-15-19(17)13-20/h3-10,13-14,16,28H,11-12,15H2,1-2H3
InChIKeyAAIAGDXMETYTJE-UHFFFAOYSA-N
XLogP4.90
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline (CID 171775678) is 3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline is COc1ccc(-c2nn(-c3ccc4c(c3)CNCC4)c3c2cnc2ccccc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline?
The InChIKey is AAIAGDXMETYTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-32-24-10-8-18(14-25(24)33-2)26-22-16-29-23-6-4-3-5-21(23)27(22)31(30-26)20-9-7-17-11-12-28-15-19(17)13-20/h3-10,13-14,16,28H,11-12,15H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline?
3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline has a molecular weight of 436.52 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,5-c]quinoline is sourced from PubChem (CID 171775678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).