4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one

C14H16N2O2 — CID 142386717

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one
SMILESCN1C(=O)CC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C14H16N2O2/c1-15-12(9-13(15)17)14(18)16-8-4-6-10-5-2-3-7-11(10)16/h2-3,5,7,12H,4,6,8-9H2,1H3
InChIKeyKXNDSORBPNCWEK-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.20
Rot. Bonds1

About 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one (PubChem CID 142386717) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one
PubChem CID142386717
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one
SMILESCN1C(=O)CC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C14H16N2O2/c1-15-12(9-13(15)17)14(18)16-8-4-6-10-5-2-3-7-11(10)16/h2-3,5,7,12H,4,6,8-9H2,1H3
InChIKeyKXNDSORBPNCWEK-UHFFFAOYSA-N
XLogP1.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 3242452
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
(3R)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methyl-3,4-dihydroisochromen-1-one
CID 7464490
1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 87023568
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 113182980
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188578
(4R)-1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 7337151
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one
CID 97040954
(1R,6S)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 1225798

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one (CID 142386717) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one is CN1C(=O)CC1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one?
The InChIKey is KXNDSORBPNCWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-12(9-13(15)17)14(18)16-8-4-6-10-5-2-3-7-11(10)16/h2-3,5,7,12H,4,6,8-9H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one is sourced from PubChem (CID 142386717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).