3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H21N3O4 — CID 70714965

IUPAC3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)c3cc(=O)c4ccccc4[nH]3)CC2)OC1=O
InChIInChI=1S/C19H21N3O4/c1-2-21-12-19(26-18(21)25)7-9-22(10-8-19)17(24)15-11-16(23)13-5-3-4-6-14(13)20-15/h3-6,11H,2,7-10,12H2,1H3,(H,20,23)
InChIKeyMNKAZSVMFJJCLR-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.98
Rot. Bonds2

About 3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70714965) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70714965
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(C(=O)c3cc(=O)c4ccccc4[nH]3)CC2)OC1=O
InChIInChI=1S/C19H21N3O4/c1-2-21-12-19(26-18(21)25)7-9-22(10-8-19)17(24)15-11-16(23)13-5-3-4-6-14(13)20-15/h3-6,11H,2,7-10,12H2,1H3,(H,20,23)
InChIKeyMNKAZSVMFJJCLR-UHFFFAOYSA-N
XLogP1.98
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

8-(1H-indole-2-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70760228
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
3-ethyl-8-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70761535
4-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzonitrile
CID 22975687
8-[(2S)-2-amino-2-phenylacetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70762711
8-(4-ethanimidoylbenzoyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 20622662
2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one
CID 95228152
(5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 126424547
8-[2-(6-chloro-1H-benzimidazol-2-yl)acetyl]-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70760134
3-ethyl-8-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70746131
2-(3-oxo-1,4-diazepane-1-carbonyl)-1H-quinolin-4-one
CID 62897216
acetamide;4-oxo-1H-quinoline-2-carboxylic acid
CID 160920347

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70714965) is 3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(C(=O)c3cc(=O)c4ccccc4[nH]3)CC2)OC1=O.
What is the InChIKey of 3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MNKAZSVMFJJCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-2-21-12-19(26-18(21)25)7-9-22(10-8-19)17(24)15-11-16(23)13-5-3-4-6-14(13)20-15/h3-6,11H,2,7-10,12H2,1H3,(H,20,23).
What are the key properties of 3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 355.39 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(4-oxo-1H-quinoline-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70714965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).