N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide

C19H23N3O2S — CID 16837336

IUPACN-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESCN1CCCc2cc(CCNC(=O)C(=O)NCc3cccs3)ccc21
InChIInChI=1S/C19H23N3O2S/c1-22-10-2-4-15-12-14(6-7-17(15)22)8-9-20-18(23)19(24)21-13-16-5-3-11-25-16/h3,5-7,11-12H,2,4,8-10,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyXYXTTWKAKHORLM-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.11
Rot. Bonds5

About N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide

N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide (PubChem CID 16837336) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
PubChem CID16837336
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
SMILESCN1CCCc2cc(CCNC(=O)C(=O)NCc3cccs3)ccc21
InChIInChI=1S/C19H23N3O2S/c1-22-10-2-4-15-12-14(6-7-17(15)22)8-9-20-18(23)19(24)21-13-16-5-3-11-25-16/h3,5-7,11-12H,2,4,8-10,13H2,1H3,(H,20,23)(H,21,24)
InChIKeyXYXTTWKAKHORLM-UHFFFAOYSA-N
XLogP2.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(S)-4-Methyl-2-[4-(4-piperazin-1-yl-phenyl)-thiophen-3-ylamino]-pentanoic acid cyanomethyl-amide
CID 10047261
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 969684
N-(2,6-diethylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 2455483
N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 9266840
N-(4-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 16327913
1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide
CID 71466578
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-thiophen-2-yl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141500
propan-2-yl N-[(2S,4R)-1-acetyl-2-methyl-6-thiophen-3-yl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 135141504
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 1244181
(E)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2423320
(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylprop-2-enamide
CID 2487215

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide (CID 16837336) is N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide is CN1CCCc2cc(CCNC(=O)C(=O)NCc3cccs3)ccc21.
What is the InChIKey of N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
The InChIKey is XYXTTWKAKHORLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-22-10-2-4-15-12-14(6-7-17(15)22)8-9-20-18(23)19(24)21-13-16-5-3-11-25-16/h3,5-7,11-12H,2,4,8-10,13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide?
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide has a molecular weight of 357.48 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 16837336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).