3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one

C19H23N3O3 — CID 155567219

IUPAC3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one
SMILESNc1nc2ccccc2cc1CCC(=O)N1CC[C@@]2(COC[C@@H]2O)C1
InChIInChI=1S/C19H23N3O3/c20-18-14(9-13-3-1-2-4-15(13)21-18)5-6-17(24)22-8-7-19(11-22)12-25-10-16(19)23/h1-4,9,16,23H,5-8,10-12H2,(H2,20,21)/t16-,19-/m0/s1
InChIKeyOWOIZJBZOQBNBU-LPHOPBHVSA-N
MW341.41 g/mol
LogP1.36
Rot. Bonds3

About 3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one

3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one (PubChem CID 155567219) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one
PubChem CID155567219
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one
SMILESNc1nc2ccccc2cc1CCC(=O)N1CC[C@@]2(COC[C@@H]2O)C1
InChIInChI=1S/C19H23N3O3/c20-18-14(9-13-3-1-2-4-15(13)21-18)5-6-17(24)22-8-7-19(11-22)12-25-10-16(19)23/h1-4,9,16,23H,5-8,10-12H2,(H2,20,21)/t16-,19-/m0/s1
InChIKeyOWOIZJBZOQBNBU-LPHOPBHVSA-N
XLogP1.36
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one?
The IUPAC name of 3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one (CID 155567219) is 3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one.
What is the SMILES notation for 3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one?
The canonical SMILES for 3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one is Nc1nc2ccccc2cc1CCC(=O)N1CC[C@@]2(COC[C@@H]2O)C1.
What is the InChIKey of 3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one?
The InChIKey is OWOIZJBZOQBNBU-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H23N3O3/c20-18-14(9-13-3-1-2-4-15(13)21-18)5-6-17(24)22-8-7-19(11-22)12-25-10-16(19)23/h1-4,9,16,23H,5-8,10-12H2,(H2,20,21)/t16-,19-/m0/s1.
What are the key properties of 3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one?
3-(2-aminoquinolin-3-yl)-1-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one has a molecular weight of 341.41 g/mol, XLogP of 1.36, 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-[(4R,5S)-4-hydroxy-2-oxa-7-azaspiro[4.4]nonan-7-yl]propan-1-one is sourced from PubChem (CID 155567219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).