N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide

C22H26FN3O2 — CID 16837538

IUPACN-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide
SMILESCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(C)c(F)c3)ccc21
InChIInChI=1S/C22H26FN3O2/c1-3-26-12-4-5-17-13-16(7-9-20(17)26)10-11-24-21(27)22(28)25-18-8-6-15(2)19(23)14-18/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyROOHZLQAFFOIEJ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.20
Rot. Bonds5

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

N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide (PubChem CID 16837538) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide
PubChem CID16837538
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide
SMILESCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(C)c(F)c3)ccc21
InChIInChI=1S/C22H26FN3O2/c1-3-26-12-4-5-17-13-16(7-9-20(17)26)10-11-24-21(27)22(28)25-18-8-6-15(2)19(23)14-18/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyROOHZLQAFFOIEJ-UHFFFAOYSA-N
XLogP3.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluoro-4-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617251
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'-(2,4-difluorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837342
N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837402
N'-(1,2-oxazol-3-yl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837421
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379388
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 16837383
N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837423
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 7586304
3,4-dimethyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837172
N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 42065366

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide?
The IUPAC name of N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide (CID 16837538) is N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide.
What is the SMILES notation for N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide?
The canonical SMILES for N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide is CCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccc(C)c(F)c3)ccc21.
What is the InChIKey of N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide?
The InChIKey is ROOHZLQAFFOIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-3-26-12-4-5-17-13-16(7-9-20(17)26)10-11-24-21(27)22(28)25-18-8-6-15(2)19(23)14-18/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide?
N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide has a molecular weight of 383.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide is sourced from PubChem (CID 16837538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).