6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one

C22H24N2O2 — CID 90054264

IUPAC6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C(Cc1ccccc1)CN1CC(Cc2ccc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C22H24N2O2/c25-20(12-16-4-2-1-3-5-16)15-24-13-18(14-24)10-17-6-8-21-19(11-17)7-9-22(26)23-21/h1-6,8,11,18H,7,9-10,12-15H2,(H,23,26)
InChIKeyCSHQSVMWDHORAB-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.86
Rot. Bonds6

About 6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one

6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 90054264) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID90054264
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C(Cc1ccccc1)CN1CC(Cc2ccc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C22H24N2O2/c25-20(12-16-4-2-1-3-5-16)15-24-13-18(14-24)10-17-6-8-21-19(11-17)7-9-22(26)23-21/h1-6,8,11,18H,7,9-10,12-15H2,(H,23,26)
InChIKeyCSHQSVMWDHORAB-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82232043
7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 21465114
6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 90054127
6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 90014464
N-[(4-benzylcyclohexyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 58923659
7-[2-[(3S)-3-benzylpiperidin-1-yl]-1-hydroxyethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one;dihydrochloride
CID 142663341
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
CID 110774998
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
6-[(E)-3-(4-benzylpiperidin-1-yl)prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120862
6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120864
1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
CID 70048298

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 90054264) is 6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one is O=C(Cc1ccccc1)CN1CC(Cc2ccc3c(c2)CCC(=O)N3)C1.
What is the InChIKey of 6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CSHQSVMWDHORAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-20(12-16-4-2-1-3-5-16)15-24-13-18(14-24)10-17-6-8-21-19(11-17)7-9-22(26)23-21/h1-6,8,11,18H,7,9-10,12-15H2,(H,23,26).
What are the key properties of 6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 348.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 90054264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).