N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide

C17H19N3O5S — CID 7658164

IUPACN-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
SMILESCS(=O)(=O)N1CCCc2cc(NC(=O)C(=O)NCc3ccco3)ccc21
InChIInChI=1S/C17H19N3O5S/c1-26(23,24)20-8-2-4-12-10-13(6-7-15(12)20)19-17(22)16(21)18-11-14-5-3-9-25-14/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyROUHHPJHOCAOBN-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.25
Rot. Bonds4

About N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide

N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide (PubChem CID 7658164) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
PubChem CID7658164
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
SMILESCS(=O)(=O)N1CCCc2cc(NC(=O)C(=O)NCc3ccco3)ccc21
InChIInChI=1S/C17H19N3O5S/c1-26(23,24)20-8-2-4-12-10-13(6-7-15(12)20)19-17(22)16(21)18-11-14-5-3-9-25-14/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyROUHHPJHOCAOBN-UHFFFAOYSA-N
XLogP1.25
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658096
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 90605271
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 121085929
N-(furan-2-ylmethyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584405
N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658172
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
CID 7657945
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
CID 7517878
N-(3-hydroxypropyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7688066
N-[3-(furan-2-ylmethoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 78832998
2-(5-methyl-1,2-oxazol-3-yl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
CID 110623274
N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7688075

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide (CID 7658164) is N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide is CS(=O)(=O)N1CCCc2cc(NC(=O)C(=O)NCc3ccco3)ccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide?
The InChIKey is ROUHHPJHOCAOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-26(23,24)20-8-2-4-12-10-13(6-7-15(12)20)19-17(22)16(21)18-11-14-5-3-9-25-14/h3,5-7,9-10H,2,4,8,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide?
N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide has a molecular weight of 377.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide is sourced from PubChem (CID 7658164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).