N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide

C25H32N4O3S — CID 18571867

IUPACN-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)NCC(c2ccc3c(c2)CCCN3C)N2CCOCC2)c1
InChIInChI=1S/C25H32N4O3S/c1-28-10-4-5-18-15-19(8-9-22(18)28)23(29-11-13-32-14-12-29)17-26-24(30)25(31)27-20-6-3-7-21(16-20)33-2/h3,6-9,15-16,23H,4-5,10-14,17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyPMQZPFBKZFFJAP-UHFFFAOYSA-N
MW468.62 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide

N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide (PubChem CID 18571867) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
PubChem CID18571867
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC NameN-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
SMILESCSc1cccc(NC(=O)C(=O)NCC(c2ccc3c(c2)CCCN3C)N2CCOCC2)c1
InChIInChI=1S/C25H32N4O3S/c1-28-10-4-5-18-15-19(8-9-22(18)28)23(29-11-13-32-14-12-29)17-26-24(30)25(31)27-20-6-3-7-21(16-20)33-2/h3,6-9,15-16,23H,4-5,10-14,17H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyPMQZPFBKZFFJAP-UHFFFAOYSA-N
XLogP2.92
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 18571899
N'-(3-acetamidophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16802078
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 30835557
N'-(2,5-difluorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide
CID 18571875
N'-(3-methoxyphenyl)-N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40949298
N'-(3-methoxyphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ylethyl]oxamide
CID 40949294
N'-(3-fluorophenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 40890634
N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27369962
N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 30576488
N'-(3-acetamidophenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]oxamide
CID 51641005
N'-(3-fluoro-4-methylphenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 40948069
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 40948045

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide?
The IUPAC name of N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide (CID 18571867) is N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide.
What is the SMILES notation for N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide?
The canonical SMILES for N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide is CSc1cccc(NC(=O)C(=O)NCC(c2ccc3c(c2)CCCN3C)N2CCOCC2)c1.
What is the InChIKey of N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide?
The InChIKey is PMQZPFBKZFFJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-28-10-4-5-18-15-19(8-9-22(18)28)23(29-11-13-32-14-12-29)17-26-24(30)25(31)27-20-6-3-7-21(16-20)33-2/h3,6-9,15-16,23H,4-5,10-14,17H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide?
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide has a molecular weight of 468.62 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide is sourced from PubChem (CID 18571867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).