3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one

C24H23NO5S — CID 134866569

IUPAC3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCOCOc1ccccc1C1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O
InChIInChI=1S/C24H23NO5S/c1-17-11-13-18(14-12-17)31(27,28)25-15-21(24(26)20-8-3-5-9-22(20)25)19-7-4-6-10-23(19)30-16-29-2/h3-14,21H,15-16H2,1-2H3
InChIKeyQOOCYJXVTBXHEO-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.15
Rot. Bonds6

About 3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one

3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one (PubChem CID 134866569) has the molecular formula C24H23NO5S and a molecular weight of 437.52 g/mol. Its IUPAC name is 3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
PubChem CID134866569
Molecular FormulaC24H23NO5S
Molecular Weight437.52 g/mol
Exact Mass437.13
IUPAC Name3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
SMILESCOCOc1ccccc1C1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O
InChIInChI=1S/C24H23NO5S/c1-17-11-13-18(14-12-17)31(27,28)25-15-21(24(26)20-8-3-5-9-22(20)25)19-7-4-6-10-23(19)30-16-29-2/h3-14,21H,15-16H2,1-2H3
InChIKeyQOOCYJXVTBXHEO-UHFFFAOYSA-N
XLogP4.15
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 164898133
3-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 71662647
3-[2,2-bis(diethoxyphosphoryl)ethyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 86748669
(4S,6R)-2,8-bis-(4-methylphenyl)sulfonyl-5-oxa-2,8-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 102589599
(3S)-3-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 139092648
(3aS,9bS)-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydrofuro[3,2-c]quinolin-2-one
CID 101430135
3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 154713489
3-[fluoro-(4-phenylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 154714054
methyl (2R)-1,4-bis-(4-methylphenyl)sulfonyl-2,3-dihydroquinoxaline-2-carboxylate
CID 134935183
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydro-3-benzazepin-4-one
CID 155907249
(2R)-2-methyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine
CID 96538065
3-(difluoromethylidene)-1-(4-methylphenyl)sulfonyl-2H-indole
CID 101186330

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one (CID 134866569) is 3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one is COCOc1ccccc1C1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O.
What is the InChIKey of 3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
The InChIKey is QOOCYJXVTBXHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5S/c1-17-11-13-18(14-12-17)31(27,28)25-15-21(24(26)20-8-3-5-9-22(20)25)19-7-4-6-10-23(19)30-16-29-2/h3-14,21H,15-16H2,1-2H3.
What are the key properties of 3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one?
3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one has a molecular weight of 437.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethoxy)phenyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 134866569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).