6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one

C21H29N3O2 — CID 56722379

IUPAC6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN3CC(N4CCCCC4C)C3)cc2c1
InChIInChI=1S/C21H29N3O2/c1-3-26-19-7-8-20-16(11-19)10-17(21(25)22-20)12-23-13-18(14-23)24-9-5-4-6-15(24)2/h7-8,10-11,15,18H,3-6,9,12-14H2,1-2H3,(H,22,25)
InChIKeyJJAYLNPPYOSWRJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.99
Rot. Bonds5

About 6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one

6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 56722379) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID56722379
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN3CC(N4CCCCC4C)C3)cc2c1
InChIInChI=1S/C21H29N3O2/c1-3-26-19-7-8-20-16(11-19)10-17(21(25)22-20)12-23-13-18(14-23)24-9-5-4-6-15(24)2/h7-8,10-11,15,18H,3-6,9,12-14H2,1-2H3,(H,22,25)
InChIKeyJJAYLNPPYOSWRJ-UHFFFAOYSA-N
XLogP2.99
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-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

3-[[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]methyl]-6-ethoxy-1H-quinolin-2-one;dihydrochloride
CID 154884368
6-ethoxy-3-[[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 134704843
1-[(3R,4R)-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide;formic acid
CID 154918764
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
3-[[4-(3,5-dimethylpiperidin-1-yl)anilino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 11531553
6-ethoxy-3-[[methyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 95226225
6-ethoxy-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870835
2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138806837
3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171725
N-cyclopentyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194180
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)thiourea
CID 1137416
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430901

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one (CID 56722379) is 6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CN3CC(N4CCCCC4C)C3)cc2c1.
What is the InChIKey of 6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is JJAYLNPPYOSWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-26-19-7-8-20-16(11-19)10-17(21(25)22-20)12-23-13-18(14-23)24-9-5-4-6-15(24)2/h7-8,10-11,15,18H,3-6,9,12-14H2,1-2H3,(H,22,25).
What are the key properties of 6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one?
6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 355.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56722379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).