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

C19H20N4O3 — CID 7586339

IUPACN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccncc3)cc21
InChIInChI=1S/C19H20N4O3/c1-13(24)23-10-2-3-15-4-5-16(11-17(15)23)22-19(26)18(25)21-12-14-6-8-20-9-7-14/h4-9,11H,2-3,10,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyWDUZFQWPUGSZEP-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.64
Rot. Bonds3

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

N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 7586339) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide
PubChem CID7586339
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide
SMILESCC(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccncc3)cc21
InChIInChI=1S/C19H20N4O3/c1-13(24)23-10-2-3-15-4-5-16(11-17(15)23)22-19(26)18(25)21-12-14-6-8-20-9-7-14/h4-9,11H,2-3,10,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyWDUZFQWPUGSZEP-UHFFFAOYSA-N
XLogP1.64
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.64
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-butyloxamide
CID 7586301
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 7656803
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide
CID 7657138
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-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 7586304
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'-(2-methylphenyl)oxamide
CID 7586388
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7586327
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249437
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide
CID 7657049
N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760

Frequently Asked Questions

What is the IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide (CID 7586339) is N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide is CC(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccncc3)cc21.
What is the InChIKey of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is WDUZFQWPUGSZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13(24)23-10-2-3-15-4-5-16(11-17(15)23)22-19(26)18(25)21-12-14-6-8-20-9-7-14/h4-9,11H,2-3,10,12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide?
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 352.39 g/mol, XLogP of 1.64, 3 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-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 7586339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).