3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one

C18H20N2O5 — CID 51043857

IUPAC3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one
SMILESCOc1cccc2c(=O)c(C(=O)N3CCC4(CC3)OCCO4)c[nH]c12
InChIInChI=1S/C18H20N2O5/c1-23-14-4-2-3-12-15(14)19-11-13(16(12)21)17(22)20-7-5-18(6-8-20)24-9-10-25-18/h2-4,11H,5-10H2,1H3,(H,19,21)
InChIKeyRAGPKGMDWRKZBX-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.52
Rot. Bonds2

About 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one

3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one (PubChem CID 51043857) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one
PubChem CID51043857
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one
SMILESCOc1cccc2c(=O)c(C(=O)N3CCC4(CC3)OCCO4)c[nH]c12
InChIInChI=1S/C18H20N2O5/c1-23-14-4-2-3-12-15(14)19-11-13(16(12)21)17(22)20-7-5-18(6-8-20)24-9-10-25-18/h2-4,11H,5-10H2,1H3,(H,19,21)
InChIKeyRAGPKGMDWRKZBX-UHFFFAOYSA-N
XLogP1.52
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
CID 17250139
8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 99787084
8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 91640889
3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
CID 10333492
3-(cyclohexanecarbonyl)-8-methoxy-1H-quinolin-4-one
CID 10016783
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 35436399
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718430
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 43831833
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
CID 110694493

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one?
The IUPAC name of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one (CID 51043857) is 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one?
The canonical SMILES for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one is COc1cccc2c(=O)c(C(=O)N3CCC4(CC3)OCCO4)c[nH]c12.
What is the InChIKey of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one?
The InChIKey is RAGPKGMDWRKZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-14-4-2-3-12-15(14)19-11-13(16(12)21)17(22)20-7-5-18(6-8-20)24-9-10-25-18/h2-4,11H,5-10H2,1H3,(H,19,21).
What are the key properties of 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one?
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one has a molecular weight of 344.37 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 51043857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).