N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide

C17H19N3O3 — CID 41453104

IUPACN'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NC[C@H]2CCCO2)c2ccccc2n1
InChIInChI=1S/C17H19N3O3/c1-11-9-15(13-6-2-3-7-14(13)19-11)20-17(22)16(21)18-10-12-5-4-8-23-12/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,18,21)(H,19,20,22)/t12-/m1/s1
InChIKeyIODXIAGDMODQHT-GFCCVEGCSA-N
MW313.36 g/mol
LogP1.78
Rot. Bonds3

About N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide

N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide (PubChem CID 41453104) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
PubChem CID41453104
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NC[C@H]2CCCO2)c2ccccc2n1
InChIInChI=1S/C17H19N3O3/c1-11-9-15(13-6-2-3-7-14(13)19-11)20-17(22)16(21)18-10-12-5-4-8-23-12/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,18,21)(H,19,20,22)/t12-/m1/s1
InChIKeyIODXIAGDMODQHT-GFCCVEGCSA-N
XLogP1.78
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.78
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-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N'-(5-hydroxynaphthalen-1-yl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507539
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
2-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 25272573
N'-[2-(dimethylamino)phenyl]-N-(oxolan-2-ylmethyl)oxamide
CID 86995334
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
N-[(5-benzoylthiophen-2-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide
CID 90613137
N'-(5-methyl-1,2-oxazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41452901
N-[[(2S)-oxolan-2-yl]methyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291222
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 934223
6-bromo-2-methyl-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46291470
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 934221

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide (CID 41453104) is N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide is Cc1cc(NC(=O)C(=O)NC[C@H]2CCCO2)c2ccccc2n1.
What is the InChIKey of N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The InChIKey is IODXIAGDMODQHT-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-9-15(13-6-2-3-7-14(13)19-11)20-17(22)16(21)18-10-12-5-4-8-23-12/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,18,21)(H,19,20,22)/t12-/m1/s1.
What are the key properties of N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide has a molecular weight of 313.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 41453104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).