N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide

C20H24N2O4S — CID 133261924

IUPACN-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
SMILESCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H24N2O4S/c1-15(20(23)22-14-6-8-16-7-4-5-9-19(16)22)26-18-12-10-17(11-13-18)21(2)27(3,24)25/h4-5,7,9-13,15H,6,8,14H2,1-3H3
InChIKeyXQTOITCHKKIUAY-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.83
Rot. Bonds5

About N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide

N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide (PubChem CID 133261924) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
PubChem CID133261924
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
SMILESCC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H24N2O4S/c1-15(20(23)22-14-6-8-16-7-4-5-9-19(16)22)26-18-12-10-17(11-13-18)21(2)27(3,24)25/h4-5,7,9-13,15H,6,8,14H2,1-3H3
InChIKeyXQTOITCHKKIUAY-UHFFFAOYSA-N
XLogP2.83
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
(2R)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376112
(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376111
N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide
CID 95554661
(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 26075972
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943207
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)propan-1-one
CID 2976581
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7763850
N-methyl-N-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxyphenyl]methanesulfonamide
CID 56922571
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one
CID 8604781

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide (CID 133261924) is N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide is CC(Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide?
The InChIKey is XQTOITCHKKIUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15(20(23)22-14-6-8-16-7-4-5-9-19(16)22)26-18-12-10-17(11-13-18)21(2)27(3,24)25/h4-5,7,9-13,15H,6,8,14H2,1-3H3.
What are the key properties of N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide?
N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 133261924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).