2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C16H20N2O — CID 116677326

IUPAC2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCc2cccc(C)c21)=C1CNC1
InChIInChI=1S/C16H20N2O/c1-11-5-3-6-13-7-4-8-18(15(11)13)16(19)12(2)14-9-17-10-14/h3,5-6,17H,4,7-10H2,1-2H3
InChIKeyKGRWBUGMBOLXNY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.19
Rot. Bonds1

About 2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 116677326) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID116677326
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCc2cccc(C)c21)=C1CNC1
InChIInChI=1S/C16H20N2O/c1-11-5-3-6-13-7-4-8-18(15(11)13)16(19)12(2)14-9-17-10-14/h3,5-6,17H,4,7-10H2,1-2H3
InChIKeyKGRWBUGMBOLXNY-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one with MolForge

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Related Compounds

1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 60704811
(3,5-dimethyl-1,2-oxazol-4-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47131464
(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897677
2-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103977977
(2-amino-4-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112240
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61290980
(2-chlorofuran-3-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106685630
2-amino-3-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 81088199
(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951713

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 116677326) is 2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CC(C(=O)N1CCCc2cccc(C)c21)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is KGRWBUGMBOLXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-5-3-6-13-7-4-8-18(15(11)13)16(19)12(2)14-9-17-10-14/h3,5-6,17H,4,7-10H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 256.35 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 116677326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).