[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

C23H23N3O2 — CID 97148065

IUPAC[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCC[C@]2(CCOC2)C1
InChIInChI=1S/C23H23N3O2/c27-22(26-11-4-8-23(15-26)9-12-28-16-23)19-13-21(17-5-3-10-24-14-17)25-20-7-2-1-6-18(19)20/h1-3,5-7,10,13-14H,4,8-9,11-12,15-16H2/t23-/m0/s1
InChIKeyAAOVIUWUDZASMG-QHCPKHFHSA-N
MW373.46 g/mol
LogP3.94
Rot. Bonds2

About [(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone (PubChem CID 97148065) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
PubChem CID97148065
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCC[C@]2(CCOC2)C1
InChIInChI=1S/C23H23N3O2/c27-22(26-11-4-8-23(15-26)9-12-28-16-23)19-13-21(17-5-3-10-24-14-17)25-20-7-2-1-6-18(19)20/h1-3,5-7,10,13-14H,4,8-9,11-12,15-16H2/t23-/m0/s1
InChIKeyAAOVIUWUDZASMG-QHCPKHFHSA-N
XLogP3.94
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone with MolForge

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Related Compounds

(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one
CID 72876722
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 55931994
[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119519440
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020
2-pyridin-2-yl-1-[4-(2-pyridin-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 56522168
2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 72937033
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 30339243

Frequently Asked Questions

What is the IUPAC name of [(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone?
The IUPAC name of [(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone (CID 97148065) is [(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone.
What is the SMILES notation for [(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone?
The canonical SMILES for [(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone is O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCC[C@]2(CCOC2)C1.
What is the InChIKey of [(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone?
The InChIKey is AAOVIUWUDZASMG-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(26-11-4-8-23(15-26)9-12-28-16-23)19-13-21(17-5-3-10-24-14-17)25-20-7-2-1-6-18(19)20/h1-3,5-7,10,13-14H,4,8-9,11-12,15-16H2/t23-/m0/s1.
What are the key properties of [(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone?
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone is sourced from PubChem (CID 97148065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).