7-(azetidin-3-yloxy)-1-methylquinolin-2-one

C13H14N2O2 — CID 130319954

IUPAC7-(azetidin-3-yloxy)-1-methylquinolin-2-one
SMILESCn1c(=O)ccc2ccc(OC3CNC3)cc21
InChIInChI=1S/C13H14N2O2/c1-15-12-6-10(17-11-7-14-8-11)4-2-9(12)3-5-13(15)16/h2-6,11,14H,7-8H2,1H3
InChIKeyVVRCGPGVERGSIM-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.89
Rot. Bonds2

About 7-(azetidin-3-yloxy)-1-methylquinolin-2-one

7-(azetidin-3-yloxy)-1-methylquinolin-2-one (PubChem CID 130319954) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 7-(azetidin-3-yloxy)-1-methylquinolin-2-one.

Molecular Properties

Compound Name7-(azetidin-3-yloxy)-1-methylquinolin-2-one
PubChem CID130319954
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name7-(azetidin-3-yloxy)-1-methylquinolin-2-one
SMILESCn1c(=O)ccc2ccc(OC3CNC3)cc21
InChIInChI=1S/C13H14N2O2/c1-15-12-6-10(17-11-7-14-8-11)4-2-9(12)3-5-13(15)16/h2-6,11,14H,7-8H2,1H3
InChIKeyVVRCGPGVERGSIM-UHFFFAOYSA-N
XLogP0.89
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azetidin-3-yloxy)-1H-indole
CID 84661437
5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole
CID 176913255
7-cyclopropyloxy-1,4-dimethylquinolin-2-one
CID 143375645
6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
CID 84671564
6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole
CID 84672190
5-(azetidin-3-yloxy)-1H-indazole
CID 84661998
5-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole
CID 84672184
3-(4-propan-2-yloxyphenoxy)azetidine
CID 138962087
5-(azetidin-3-yloxy)-2-fluorophenol
CID 138753068
5-(azetidin-3-yloxy)-2-chlorobenzamide
CID 166747260
1-methyl-5-pyrrolidin-3-yloxy-3H-indol-2-one
CID 117209664
N-cyclohexyl-N,3-dimethyl-4-(1-methyl-2-oxoquinolin-7-yl)oxybutanamide
CID 20563594

Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-3-yloxy)-1-methylquinolin-2-one?
The IUPAC name of 7-(azetidin-3-yloxy)-1-methylquinolin-2-one (CID 130319954) is 7-(azetidin-3-yloxy)-1-methylquinolin-2-one.
What is the SMILES notation for 7-(azetidin-3-yloxy)-1-methylquinolin-2-one?
The canonical SMILES for 7-(azetidin-3-yloxy)-1-methylquinolin-2-one is Cn1c(=O)ccc2ccc(OC3CNC3)cc21.
What is the InChIKey of 7-(azetidin-3-yloxy)-1-methylquinolin-2-one?
The InChIKey is VVRCGPGVERGSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15-12-6-10(17-11-7-14-8-11)4-2-9(12)3-5-13(15)16/h2-6,11,14H,7-8H2,1H3.
What are the key properties of 7-(azetidin-3-yloxy)-1-methylquinolin-2-one?
7-(azetidin-3-yloxy)-1-methylquinolin-2-one has a molecular weight of 230.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-3-yloxy)-1-methylquinolin-2-one is sourced from PubChem (CID 130319954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).