1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine

C16H15BrN4 — CID 25136183

IUPAC1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine
SMILESNc1c2c(nc3c1cnn3-c1ccc(Br)cc1)CCCC2
InChIInChI=1S/C16H15BrN4/c17-10-5-7-11(8-6-10)21-16-13(9-19-21)15(18)12-3-1-2-4-14(12)20-16/h5-9H,1-4H2,(H2,18,20)
InChIKeyXCJOPMHYCOTISG-UHFFFAOYSA-N
MW343.23 g/mol
LogP3.64
Rot. Bonds1

About 1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine

1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine (PubChem CID 25136183) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine
PubChem CID25136183
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine
SMILESNc1c2c(nc3c1cnn3-c1ccc(Br)cc1)CCCC2
InChIInChI=1S/C16H15BrN4/c17-10-5-7-11(8-6-10)21-16-13(9-19-21)15(18)12-3-1-2-4-14(12)20-16/h5-9H,1-4H2,(H2,18,20)
InChIKeyXCJOPMHYCOTISG-UHFFFAOYSA-N
XLogP3.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine?
The IUPAC name of 1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine (CID 25136183) is 1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine.
What is the SMILES notation for 1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine?
The canonical SMILES for 1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine is Nc1c2c(nc3c1cnn3-c1ccc(Br)cc1)CCCC2.
What is the InChIKey of 1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine?
The InChIKey is XCJOPMHYCOTISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c17-10-5-7-11(8-6-10)21-16-13(9-19-21)15(18)12-3-1-2-4-14(12)20-16/h5-9H,1-4H2,(H2,18,20).
What are the key properties of 1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine?
1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine has a molecular weight of 343.23 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-amine is sourced from PubChem (CID 25136183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).