3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

C20H28N2O4 — CID 72845219

IUPAC3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(cc(C(=O)N3CCC4(CC3)OCCCC4O)c1=O)CCCC2
InChIInChI=1S/C20H28N2O4/c1-21-16-6-3-2-5-14(16)13-15(18(21)24)19(25)22-10-8-20(9-11-22)17(23)7-4-12-26-20/h13,17,23H,2-12H2,1H3
InChIKeyHKDQTLVOJDGVNK-UHFFFAOYSA-N
MW360.45 g/mol
LogP1.41
Rot. Bonds1

About 3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 72845219) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID72845219
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(cc(C(=O)N3CCC4(CC3)OCCCC4O)c1=O)CCCC2
InChIInChI=1S/C20H28N2O4/c1-21-16-6-3-2-5-14(16)13-15(18(21)24)19(25)22-10-8-20(9-11-22)17(23)7-4-12-26-20/h13,17,23H,2-12H2,1H3
InChIKeyHKDQTLVOJDGVNK-UHFFFAOYSA-N
XLogP1.41
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110159754
1-methyl-3-(piperazine-1-carbonyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522641
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124959970
(2,6-dimethyl-4-pyridinyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 99930019
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methoxyphenyl)methanone
CID 125000712
(2-chloro-4-fluorophenyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97196154
(5-fluoro-2-methoxyphenyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124978825
(5R)-3-methyl-9-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 126444687
3-[6-(hydroxymethyl)-1,4-oxazepane-4-carbonyl]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 70753246
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methoxyphenyl)methanone
CID 124965720
6-tert-butyl-4-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-pyrimidin-2-one
CID 72893575
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylsulfonylphenyl)methanone
CID 97120046

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (CID 72845219) is 3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is Cn1c2c(cc(C(=O)N3CCC4(CC3)OCCCC4O)c1=O)CCCC2.
What is the InChIKey of 3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is HKDQTLVOJDGVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-21-16-6-3-2-5-14(16)13-15(18(21)24)19(25)22-10-8-20(9-11-22)17(23)7-4-12-26-20/h13,17,23H,2-12H2,1H3.
What are the key properties of 3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 360.45 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 72845219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).