N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide

C22H25N3O4 — CID 7586327

IUPACN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2
InChIInChI=1S/C22H25N3O4/c1-15(26)25-13-5-7-16-9-10-18(14-19(16)25)24-22(28)21(27)23-12-11-17-6-3-4-8-20(17)29-2/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyISVLSPJIRKJMJH-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.29
Rot. Bonds5

About N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide

N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide (PubChem CID 7586327) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
PubChem CID7586327
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccccc1CCNC(=O)C(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2
InChIInChI=1S/C22H25N3O4/c1-15(26)25-13-5-7-16-9-10-18(14-19(16)25)24-22(28)21(27)23-12-11-17-6-3-4-8-20(17)29-2/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyISVLSPJIRKJMJH-UHFFFAOYSA-N
XLogP2.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.29
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

N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 7586304
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-butyloxamide
CID 7586301
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985370
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(2-methoxyphenoxy)acetamide
CID 7517220
N'-(3-bromo-4-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108985379
N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108985391
N'-(4-acetylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 86995908
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7657010
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide
CID 7586388
N-[2-(2-methoxyphenyl)ethyl]-6-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxamide
CID 110634405
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 7586339
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-fluorophenyl)oxamide
CID 7586378

Frequently Asked Questions

What is the IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide (CID 7586327) is N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide is COc1ccccc1CCNC(=O)C(=O)Nc1ccc2c(c1)N(C(C)=O)CCC2.
What is the InChIKey of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide?
The InChIKey is ISVLSPJIRKJMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15(26)25-13-5-7-16-9-10-18(14-19(16)25)24-22(28)21(27)23-12-11-17-6-3-4-8-20(17)29-2/h3-4,6,8-10,14H,5,7,11-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide?
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide has a molecular weight of 395.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 7586327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).