N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide

C19H23N3O6S — CID 121085929

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccco1
InChIInChI=1S/C19H23N3O6S/c1-19(25,16-6-4-10-28-16)12-20-17(23)18(24)21-14-8-7-13-5-3-9-22(15(13)11-14)29(2,26)27/h4,6-8,10-11,25H,3,5,9,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHCSMJSYLYBKSCU-UHFFFAOYSA-N
MW421.48 g/mol
LogP0.95
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide (PubChem CID 121085929) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
PubChem CID121085929
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccco1
InChIInChI=1S/C19H23N3O6S/c1-19(25,16-6-4-10-28-16)12-20-17(23)18(24)21-14-8-7-13-5-3-9-22(15(13)11-14)29(2,26)27/h4,6-8,10-11,25H,3,5,9,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHCSMJSYLYBKSCU-UHFFFAOYSA-N
XLogP0.95
TPSA128.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 90605271
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-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658164
N-(2-methoxy-2-phenylbutyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 90599777
N-(2,2-diethoxyethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7688082
N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7688075
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-phenyloxamide
CID 71782588
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 90624004
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 95983710
N-benzyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658096
N-(2-methoxy-2-thiophen-3-ylethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 71804798

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide (CID 121085929) is N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide is CC(O)(CNC(=O)C(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CCC2)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
The InChIKey is HCSMJSYLYBKSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-19(25,16-6-4-10-28-16)12-20-17(23)18(24)21-14-8-7-13-5-3-9-22(15(13)11-14)29(2,26)27/h4,6-8,10-11,25H,3,5,9,12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide has a molecular weight of 421.48 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide is sourced from PubChem (CID 121085929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).