2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C16H22N2O — CID 116674604

IUPAC2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCc1ccc2c(c1)CCCN2C(=O)C(C)C1CNC1
InChIInChI=1S/C16H22N2O/c1-11-5-6-15-13(8-11)4-3-7-18(15)16(19)12(2)14-9-17-10-14/h5-6,8,12,14,17H,3-4,7,9-10H2,1-2H3
InChIKeyDFUXUWHVFGKMPZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.13
Rot. Bonds2

About 2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 116674604) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID116674604
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCc1ccc2c(c1)CCCN2C(=O)C(C)C1CNC1
InChIInChI=1S/C16H22N2O/c1-11-5-6-15-13(8-11)4-3-7-18(15)16(19)12(2)14-9-17-10-14/h5-6,8,12,14,17H,3-4,7,9-10H2,1-2H3
InChIKeyDFUXUWHVFGKMPZ-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 42998708
2-amino-4-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 24702474
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119269291
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
3-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119685859
4-hydroxy-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 79204921
(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 78967798
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 116674604) is 2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is Cc1ccc2c(c1)CCCN2C(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is DFUXUWHVFGKMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-5-6-15-13(8-11)4-3-7-18(15)16(19)12(2)14-9-17-10-14/h5-6,8,12,14,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 116674604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).