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

C21H22N2O4 — CID 90054127

IUPAC6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C(COc1ccccc1)CN1CC(Oc2ccc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C21H22N2O4/c24-16(14-26-17-4-2-1-3-5-17)11-23-12-19(13-23)27-18-7-8-20-15(10-18)6-9-21(25)22-20/h1-5,7-8,10,19H,6,9,11-14H2,(H,22,25)
InChIKeyQJCSRQBVPQHKLH-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.28
Rot. Bonds7

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

6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 90054127) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID90054127
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C(COc1ccccc1)CN1CC(Oc2ccc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C21H22N2O4/c24-16(14-26-17-4-2-1-3-5-17)11-23-12-19(13-23)27-18-7-8-20-15(10-18)6-9-21(25)22-20/h1-5,7-8,10,19H,6,9,11-14H2,(H,22,25)
InChIKeyQJCSRQBVPQHKLH-UHFFFAOYSA-N
XLogP2.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24652382
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 18571268
6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24650648
6-[1-[3-(4-cyclopropylphenyl)-2-oxopropyl]piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 90014464
N-benzyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-phenylacetamide
CID 47019658
6-[[1-(2-oxo-3-phenylpropyl)azetidin-3-yl]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 90054264
6-[2-[(3aS,5S,6aR)-3a-hydroxy-5-phenoxy-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 170560933
6-[1-(3-methylbutyl)piperidin-4-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 123840256
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480
N-(3,4-dichlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]azetidine-1-carboxamide
CID 90053899
6-[(1S,2S)-2-hydroxycyclopentyl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 93346628

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one (CID 90054127) is 6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one is O=C(COc1ccccc1)CN1CC(Oc2ccc3c(c2)CCC(=O)N3)C1.
What is the InChIKey of 6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QJCSRQBVPQHKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-16(14-26-17-4-2-1-3-5-17)11-23-12-19(13-23)27-18-7-8-20-15(10-18)6-9-21(25)22-20/h1-5,7-8,10,19H,6,9,11-14H2,(H,22,25).
What are the key properties of 6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 90054127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).