4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one

C19H22N2O5 — CID 3244800

IUPAC4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(OCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21
InChIInChI=1S/C19H22N2O5/c1-20-15-5-3-2-4-14(15)16(12-17(20)22)24-13-18(23)21-8-6-19(7-9-21)25-10-11-26-19/h2-5,12H,6-11,13H2,1H3
InChIKeyBRXTVVLVZUBSAU-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.28
Rot. Bonds3

About 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one

4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one (PubChem CID 3244800) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one
PubChem CID3244800
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(OCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21
InChIInChI=1S/C19H22N2O5/c1-20-15-5-3-2-4-14(15)16(12-17(20)22)24-13-18(23)21-8-6-19(7-9-21)25-10-11-26-19/h2-5,12H,6-11,13H2,1H3
InChIKeyBRXTVVLVZUBSAU-UHFFFAOYSA-N
XLogP1.28
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one with MolForge

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Related Compounds

1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one
CID 6622311
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
CID 110694493
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 134060037
2-(4-chloro-2-methylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 17173653
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929
4-[4-(4-benzylpiperidin-1-yl)-4-oxobutoxy]-1-methylquinolin-2-one
CID 20862035
1-ethyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]quinolin-2-one
CID 20861922
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(2-methyl-1,3-benzoxazol-4-yl)oxy]ethanone
CID 91650844
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-yloxyethanone
CID 90510476
2-(2,1,3-benzothiadiazol-4-yloxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 7692565
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one
CID 42774748

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
The IUPAC name of 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one (CID 3244800) is 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
The canonical SMILES for 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one is Cn1c(=O)cc(OCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21.
What is the InChIKey of 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
The InChIKey is BRXTVVLVZUBSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-20-15-5-3-2-4-14(15)16(12-17(20)22)24-13-18(23)21-8-6-19(7-9-21)25-10-11-26-19/h2-5,12H,6-11,13H2,1H3.
What are the key properties of 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one?
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one has a molecular weight of 358.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one is sourced from PubChem (CID 3244800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).