2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one

C19H23N3O3 — CID 91763003

IUPAC2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one
SMILESCc1cc(=O)c2ccccc2n1CC(=O)N1CC(N2CCOCC2)C1
InChIInChI=1S/C19H23N3O3/c1-14-10-18(23)16-4-2-3-5-17(16)22(14)13-19(24)21-11-15(12-21)20-6-8-25-9-7-20/h2-5,10,15H,6-9,11-13H2,1H3
InChIKeyHUEBEMWPRDSTKA-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.85
Rot. Bonds3

About 2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one

2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one (PubChem CID 91763003) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one.

Molecular Properties

Compound Name2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one
PubChem CID91763003
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one
SMILESCc1cc(=O)c2ccccc2n1CC(=O)N1CC(N2CCOCC2)C1
InChIInChI=1S/C19H23N3O3/c1-14-10-18(23)16-4-2-3-5-17(16)22(14)13-19(24)21-11-15(12-21)20-6-8-25-9-7-20/h2-5,10,15H,6-9,11-13H2,1H3
InChIKeyHUEBEMWPRDSTKA-UHFFFAOYSA-N
XLogP0.85
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91780645
1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 72884888
1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 133132253
1-[2-[(3S,5R)-3-amino-5-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 154566626
1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 97145566
1-[2-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 97145565
1-[2-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methylquinolin-4-one
CID 70775292
(1S,5R)-3-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135101065
(5R)-3-methyl-9-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 97280518
(5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97146209
2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91775202
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 155900852

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one?
The IUPAC name of 2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one (CID 91763003) is 2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one.
What is the SMILES notation for 2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one?
The canonical SMILES for 2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one is Cc1cc(=O)c2ccccc2n1CC(=O)N1CC(N2CCOCC2)C1.
What is the InChIKey of 2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one?
The InChIKey is HUEBEMWPRDSTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-10-18(23)16-4-2-3-5-17(16)22(14)13-19(24)21-11-15(12-21)20-6-8-25-9-7-20/h2-5,10,15H,6-9,11-13H2,1H3.
What are the key properties of 2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one?
2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one has a molecular weight of 341.41 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one is sourced from PubChem (CID 91763003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).