N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide

C20H21N3O3 — CID 7586388

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)C(=O)Nc3ccccc3C)cc21
InChIInChI=1S/C20H21N3O3/c1-13-6-3-4-8-17(13)22-20(26)19(25)21-16-10-9-15-7-5-11-23(14(2)24)18(15)12-16/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyKDCSCGJKRZBAAY-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.87
Rot. Bonds2

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide (PubChem CID 7586388) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide
PubChem CID7586388
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)C(=O)Nc3ccccc3C)cc21
InChIInChI=1S/C20H21N3O3/c1-13-6-3-4-8-17(13)22-20(26)19(25)21-16-10-9-15-7-5-11-23(14(2)24)18(15)12-16/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyKDCSCGJKRZBAAY-UHFFFAOYSA-N
XLogP2.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.87
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'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-fluorophenyl)oxamide
CID 7586378
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-cyclohexyloxamide
CID 7586298
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-butyloxamide
CID 7586301
N'-(2-methylphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 16823353
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide
CID 7527150
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
CID 7586167
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-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7586327
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
CID 7527164
1-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)amino]-2-oxoacetyl]piperidine-4-carboxamide
CID 7586451

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide (CID 7586388) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide is CC(=O)N1CCCc2ccc(NC(=O)C(=O)Nc3ccccc3C)cc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide?
The InChIKey is KDCSCGJKRZBAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-6-3-4-8-17(13)22-20(26)19(25)21-16-10-9-15-7-5-11-23(14(2)24)18(15)12-16/h3-4,6,8-10,12H,5,7,11H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide has a molecular weight of 351.41 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N'-(2-methylphenyl)oxamide is sourced from PubChem (CID 7586388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).