2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide

C19H20N4O2 — CID 28786526

IUPAC2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
SMILESCCN(Cc1noc(C)n1)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C19H20N4O2/c1-3-23(11-18-20-12(2)25-22-18)19(24)15-10-17(13-8-9-13)21-16-7-5-4-6-14(15)16/h4-7,10,13H,3,8-9,11H2,1-2H3
InChIKeyJSGDFIGZVLIDJN-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.47
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide

2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide (PubChem CID 28786526) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
PubChem CID28786526
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
SMILESCCN(Cc1noc(C)n1)C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C19H20N4O2/c1-3-23(11-18-20-12(2)25-22-18)19(24)15-10-17(13-8-9-13)21-16-7-5-4-6-14(15)16/h4-7,10,13H,3,8-9,11H2,1-2H3
InChIKeyJSGDFIGZVLIDJN-UHFFFAOYSA-N
XLogP3.47
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 137317997
N-[(2R)-2-cyanopropyl]-2-cyclopropyl-N-ethylquinoline-4-carboxamide
CID 95285747
2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 119062230
5-[[(2-cyclopropylquinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120522952
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide
CID 31363966
2-cyclopropyl-N-ethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide
CID 55365905
3-[(2-cyclopropylquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119113350
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539985
2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
CID 119824385

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide (CID 28786526) is 2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide is CCN(Cc1noc(C)n1)C(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide?
The InChIKey is JSGDFIGZVLIDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-23(11-18-20-12(2)25-22-18)19(24)15-10-17(13-8-9-13)21-16-7-5-4-6-14(15)16/h4-7,10,13H,3,8-9,11H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide?
2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 28786526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).