3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

C20H25N3O3 — CID 155569427

IUPAC3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESNc1nc2ccccc2cc1CCC(=O)N1CC[C@]2(COCC[C@H]2O)C1
InChIInChI=1S/C20H25N3O3/c21-19-15(11-14-3-1-2-4-16(14)22-19)5-6-18(25)23-9-8-20(12-23)13-26-10-7-17(20)24/h1-4,11,17,24H,5-10,12-13H2,(H2,21,22)/t17-,20-/m1/s1
InChIKeyZASUXBVWHSEGNF-YLJYHZDGSA-N
MW355.44 g/mol
LogP1.75
Rot. Bonds3

About 3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (PubChem CID 155569427) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
PubChem CID155569427
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESNc1nc2ccccc2cc1CCC(=O)N1CC[C@]2(COCC[C@H]2O)C1
InChIInChI=1S/C20H25N3O3/c21-19-15(11-14-3-1-2-4-16(14)22-19)5-6-18(25)23-9-8-20(12-23)13-26-10-7-17(20)24/h1-4,11,17,24H,5-10,12-13H2,(H2,21,22)/t17-,20-/m1/s1
InChIKeyZASUXBVWHSEGNF-YLJYHZDGSA-N
XLogP1.75
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The IUPAC name of 3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (CID 155569427) is 3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.
What is the SMILES notation for 3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The canonical SMILES for 3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is Nc1nc2ccccc2cc1CCC(=O)N1CC[C@]2(COCC[C@H]2O)C1.
What is the InChIKey of 3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The InChIKey is ZASUXBVWHSEGNF-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H25N3O3/c21-19-15(11-14-3-1-2-4-16(14)22-19)5-6-18(25)23-9-8-20(12-23)13-26-10-7-17(20)24/h1-4,11,17,24H,5-10,12-13H2,(H2,21,22)/t17-,20-/m1/s1.
What are the key properties of 3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one has a molecular weight of 355.44 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinolin-3-yl)-1-[(5R,10R)-10-hydroxy-7-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is sourced from PubChem (CID 155569427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).