N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide

C20H23N3O3S — CID 7657511

IUPACN'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCC(C)C(=O)N1CCCc2cc(NC(=O)C(=O)NCc3cccs3)ccc21
InChIInChI=1S/C20H23N3O3S/c1-13(2)20(26)23-9-3-5-14-11-15(7-8-17(14)23)22-19(25)18(24)21-12-16-6-4-10-27-16/h4,6-8,10-11,13H,3,5,9,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBNYJBHWKHAGCTH-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.94
Rot. Bonds4

About N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide

N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 7657511) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID7657511
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCC(C)C(=O)N1CCCc2cc(NC(=O)C(=O)NCc3cccs3)ccc21
InChIInChI=1S/C20H23N3O3S/c1-13(2)20(26)23-9-3-5-14-11-15(7-8-17(14)23)22-19(25)18(24)21-12-16-6-4-10-27-16/h4,6-8,10-11,13H,3,5,9,12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBNYJBHWKHAGCTH-UHFFFAOYSA-N
XLogP2.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.94
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-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264535
N-[(2-chlorophenyl)methyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688053
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110356694
6-methoxy-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 51111336
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(2-methylpropyl)oxamide
CID 7657049
2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7656750
1-[(4-fluorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30373655
N-(3-hydroxy-3-thiophen-2-ylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 71787892
dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium
CID 7688017
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 90534609

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide (CID 7657511) is N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide is CC(C)C(=O)N1CCCc2cc(NC(=O)C(=O)NCc3cccs3)ccc21.
What is the InChIKey of N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is BNYJBHWKHAGCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13(2)20(26)23-9-3-5-14-11-15(7-8-17(14)23)22-19(25)18(24)21-12-16-6-4-10-27-16/h4,6-8,10-11,13H,3,5,9,12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 385.49 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 7657511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).