3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C21H24N2O3 — CID 72912934

IUPAC3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1cccc(C)c1OC1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1
InChIInChI=1S/C21H24N2O3/c1-13-6-5-7-14(2)19(13)26-16-11-23(12-16)21(25)17-10-15-8-3-4-9-18(15)22-20(17)24/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3,(H,22,24)
InChIKeyGDSRQTLIUXEXAF-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.77
Rot. Bonds3

About 3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 72912934) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID72912934
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1cccc(C)c1OC1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1
InChIInChI=1S/C21H24N2O3/c1-13-6-5-7-14(2)19(13)26-16-11-23(12-16)21(25)17-10-15-8-3-4-9-18(15)22-20(17)24/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3,(H,22,24)
InChIKeyGDSRQTLIUXEXAF-UHFFFAOYSA-N
XLogP2.77
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 120657667
(3S,4S)-4-methyl-1-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120953298
3-[3-(3-methoxyphenyl)piperazine-1-carbonyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
CID 167745798
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119412958
3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71894379
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 70712754
3-(1,4-diazepane-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 119418144
(3S,4S)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72910311
3-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 110106941
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
CID 131930553
3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 125022013
3-[(3S,4R)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 163312594

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 72912934) is 3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is Cc1cccc(C)c1OC1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1.
What is the InChIKey of 3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is GDSRQTLIUXEXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-6-5-7-14(2)19(13)26-16-11-23(12-16)21(25)17-10-15-8-3-4-9-18(15)22-20(17)24/h5-7,10,16H,3-4,8-9,11-12H2,1-2H3,(H,22,24).
What are the key properties of 3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 352.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 72912934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).