4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine

C25H28N6O2 — CID 137409125

IUPAC4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
SMILESNc1cc(-c2ccnn2C2CCCCO2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C25H28N6O2/c26-23-16-19(22-10-12-28-31(22)25-6-2-4-14-33-25)18-8-7-17(15-20(18)29-23)21-9-11-27-30(21)24-5-1-3-13-32-24/h7-12,15-16,24-25H,1-6,13-14H2,(H2,26,29)
InChIKeyFMYUKFKBSPCNIK-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.94
Rot. Bonds4

About 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine

4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine (PubChem CID 137409125) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine.

Molecular Properties

Compound Name4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
PubChem CID137409125
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine
SMILESNc1cc(-c2ccnn2C2CCCCO2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C25H28N6O2/c26-23-16-19(22-10-12-28-31(22)25-6-2-4-14-33-25)18-8-7-17(15-20(18)29-23)21-9-11-27-30(21)24-5-1-3-13-32-24/h7-12,15-16,24-25H,1-6,13-14H2,(H2,26,29)
InChIKeyFMYUKFKBSPCNIK-UHFFFAOYSA-N
XLogP4.94
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
The IUPAC name of 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine (CID 137409125) is 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine.
What is the SMILES notation for 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
The canonical SMILES for 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine is Nc1cc(-c2ccnn2C2CCCCO2)c2ccc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
The InChIKey is FMYUKFKBSPCNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c26-23-16-19(22-10-12-28-31(22)25-6-2-4-14-33-25)18-8-7-17(15-20(18)29-23)21-9-11-27-30(21)24-5-1-3-13-32-24/h7-12,15-16,24-25H,1-6,13-14H2,(H2,26,29).
What are the key properties of 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine?
4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine has a molecular weight of 444.54 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis[2-(oxan-2-yl)pyrazol-3-yl]quinolin-2-amine is sourced from PubChem (CID 137409125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).