N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide

C24H25N3O4S — CID 122264535

IUPACN'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESCC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc(-c4cccs4)o3)cc21
InChIInChI=1S/C24H25N3O4S/c1-15(2)24(30)27-11-3-5-16-7-8-17(13-19(16)27)26-23(29)22(28)25-14-18-9-10-20(31-18)21-6-4-12-32-21/h4,6-10,12-13,15H,3,5,11,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyGDVYZLJBDGMLCK-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.20
Rot. Bonds5

About N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide

N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (PubChem CID 122264535) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
PubChem CID122264535
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC NameN'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
SMILESCC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc(-c4cccs4)o3)cc21
InChIInChI=1S/C24H25N3O4S/c1-15(2)24(30)27-11-3-5-16-7-8-17(13-19(16)27)26-23(29)22(28)25-14-18-9-10-20(31-18)21-6-4-12-32-21/h4,6-10,12-13,15H,3,5,11,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyGDVYZLJBDGMLCK-UHFFFAOYSA-N
XLogP4.20
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(thiophen-2-ylmethyl)oxamide
CID 7657511
N-[(2-chlorophenyl)methyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688053
N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264488
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
CID 7688050
dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium
CID 7688017
N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264483
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 121019150
N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688029
N'-(3-methylsulfanylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264511
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121019149
N-cyclopropyl-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688051
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109702

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The IUPAC name of N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide (CID 122264535) is N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide.
What is the SMILES notation for N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The canonical SMILES for N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is CC(C)C(=O)N1CCCc2ccc(NC(=O)C(=O)NCc3ccc(-c4cccs4)o3)cc21.
What is the InChIKey of N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
The InChIKey is GDVYZLJBDGMLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-15(2)24(30)27-11-3-5-16-7-8-17(13-19(16)27)26-23(29)22(28)25-14-18-9-10-20(31-18)21-6-4-12-32-21/h4,6-10,12-13,15H,3,5,11,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide?
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide has a molecular weight of 451.55 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide is sourced from PubChem (CID 122264535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).