1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline

C22H19N3 — CID 15853936

IUPAC1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline
SMILESc1ccc(-c2nn(-c3ccccc3)c3nc4c(cc23)CCCC4)cc1
InChIInChI=1S/C22H19N3/c1-3-9-16(10-4-1)21-19-15-17-11-7-8-14-20(17)23-22(19)25(24-21)18-12-5-2-6-13-18/h1-6,9-10,12-13,15H,7-8,11,14H2
InChIKeyFWORLGXVTRIPJF-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.97
Rot. Bonds2

About 1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline

1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline (PubChem CID 15853936) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline.

Molecular Properties

Compound Name1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline
PubChem CID15853936
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline
SMILESc1ccc(-c2nn(-c3ccccc3)c3nc4c(cc23)CCCC4)cc1
InChIInChI=1S/C22H19N3/c1-3-9-16(10-4-1)21-19-15-17-11-7-8-14-20(17)23-22(19)25(24-21)18-12-5-2-6-13-18/h1-6,9-10,12-13,15H,7-8,11,14H2
InChIKeyFWORLGXVTRIPJF-UHFFFAOYSA-N
XLogP4.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline?
The IUPAC name of 1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline (CID 15853936) is 1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline.
What is the SMILES notation for 1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline?
The canonical SMILES for 1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline is c1ccc(-c2nn(-c3ccccc3)c3nc4c(cc23)CCCC4)cc1.
What is the InChIKey of 1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline?
The InChIKey is FWORLGXVTRIPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-3-9-16(10-4-1)21-19-15-17-11-7-8-14-20(17)23-22(19)25(24-21)18-12-5-2-6-13-18/h1-6,9-10,12-13,15H,7-8,11,14H2.
What are the key properties of 1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline?
1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline has a molecular weight of 325.42 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinoline is sourced from PubChem (CID 15853936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).