N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide

C17H23N3O3 — CID 7657049

IUPACN'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)C(=O)NCC(C)C)ccc21
InChIInChI=1S/C17H23N3O3/c1-11(2)10-18-16(22)17(23)19-14-6-7-15-13(9-14)5-4-8-20(15)12(3)21/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyUNGBPEVAFXWWRQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.70
Rot. Bonds3

About N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide

N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide (PubChem CID 7657049) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide
PubChem CID7657049
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)C(=O)NCC(C)C)ccc21
InChIInChI=1S/C17H23N3O3/c1-11(2)10-18-16(22)17(23)19-14-6-7-15-13(9-14)5-4-8-20(15)12(3)21/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyUNGBPEVAFXWWRQ-UHFFFAOYSA-N
XLogP1.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.70
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-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide
CID 7657185
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 7656803
1-[6-(2-fluoropropylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 71698231
1-[6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82262503
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
CID 122078494
1-[6-(ethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 83967651
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-chloro-2-fluoroacetamide
CID 166427902
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-butyloxamide
CID 7586301
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
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-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648

Frequently Asked Questions

What is the IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide (CID 7657049) is N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide is CC(=O)N1CCCc2cc(NC(=O)C(=O)NCC(C)C)ccc21.
What is the InChIKey of N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide?
The InChIKey is UNGBPEVAFXWWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)10-18-16(22)17(23)19-14-6-7-15-13(9-14)5-4-8-20(15)12(3)21/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide?
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide has a molecular weight of 317.39 g/mol, XLogP of 1.70, 3 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-6-yl)-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 7657049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).