1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one

C19H23N3O4 — CID 95706811

IUPAC1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one
SMILESO=C(Cn1ccc(=O)c2ccccc21)N1CCO[C@]2(CNCCOC2)C1
InChIInChI=1S/C19H23N3O4/c23-17-5-7-21(16-4-2-1-3-15(16)17)11-18(24)22-8-10-26-19(13-22)12-20-6-9-25-14-19/h1-5,7,20H,6,8-14H2/t19-/m1/s1
InChIKeyKUFFFGWZPFSVFN-LJQANCHMSA-N
MW357.41 g/mol
LogP0.22
Rot. Bonds2

About 1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one

1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one (PubChem CID 95706811) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one
PubChem CID95706811
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one
SMILESO=C(Cn1ccc(=O)c2ccccc21)N1CCO[C@]2(CNCCOC2)C1
InChIInChI=1S/C19H23N3O4/c23-17-5-7-21(16-4-2-1-3-15(16)17)11-18(24)22-8-10-26-19(13-22)12-20-6-9-25-14-19/h1-5,7,20H,6,8-14H2/t19-/m1/s1
InChIKeyKUFFFGWZPFSVFN-LJQANCHMSA-N
XLogP0.22
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one with MolForge

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Related Compounds

1-[2-(6-fluoro-6-methyl-1,4-diazepan-1-yl)-2-oxoethyl]quinolin-4-one
CID 138001603
2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302
N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide
CID 95728332
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 95718325
1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-3-pyridin-3-ylpropan-1-one
CID 56884581
3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide
CID 138002600
1-[2-[(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-2-oxoethyl]quinolin-4-one
CID 166314889
(2-chloro-5-pyrazol-1-ylphenyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95728254
[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1,3,7-trimethylindol-2-yl)methanone
CID 95707901
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 95721471
1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl-(2-methyl-1-benzofuran-7-yl)methanone
CID 56896829
1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
CID 97494594

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one?
The IUPAC name of 1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one (CID 95706811) is 1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one?
The canonical SMILES for 1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one is O=C(Cn1ccc(=O)c2ccccc21)N1CCO[C@]2(CNCCOC2)C1.
What is the InChIKey of 1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one?
The InChIKey is KUFFFGWZPFSVFN-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-17-5-7-21(16-4-2-1-3-15(16)17)11-18(24)22-8-10-26-19(13-22)12-20-6-9-25-14-19/h1-5,7,20H,6,8-14H2/t19-/m1/s1.
What are the key properties of 1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one?
1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one has a molecular weight of 357.41 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one is sourced from PubChem (CID 95706811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).