8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C25H27N3O4 — CID 44530439

IUPAC8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC(c2ccccc2)C2(CCN(CC(O)COc3cccc4ncccc34)CC2)O1
InChIInChI=1S/C25H27N3O4/c29-19(17-31-22-10-4-9-21-20(22)8-5-13-26-21)16-28-14-11-25(12-15-28)23(27-24(30)32-25)18-6-2-1-3-7-18/h1-10,13,19,23,29H,11-12,14-17H2,(H,27,30)
InChIKeyLHRKAYAQNMWYGP-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.29
Rot. Bonds6

About 8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 44530439) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID44530439
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC(c2ccccc2)C2(CCN(CC(O)COc3cccc4ncccc34)CC2)O1
InChIInChI=1S/C25H27N3O4/c29-19(17-31-22-10-4-9-21-20(22)8-5-13-26-21)16-28-14-11-25(12-15-28)23(27-24(30)32-25)18-6-2-1-3-7-18/h1-10,13,19,23,29H,11-12,14-17H2,(H,27,30)
InChIKeyLHRKAYAQNMWYGP-UHFFFAOYSA-N
XLogP3.29
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 44530439) is 8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NC(c2ccccc2)C2(CCN(CC(O)COc3cccc4ncccc34)CC2)O1.
What is the InChIKey of 8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LHRKAYAQNMWYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c29-19(17-31-22-10-4-9-21-20(22)8-5-13-26-21)16-28-14-11-25(12-15-28)23(27-24(30)32-25)18-6-2-1-3-7-18/h1-10,13,19,23,29H,11-12,14-17H2,(H,27,30).
What are the key properties of 8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 433.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxy-3-quinolin-5-yloxypropyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 44530439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).