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

C19H22N4O2 — CID 70727244

IUPAC6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide
SMILESCCc1ccc2nc(C)cc(C(=O)N(C)Cc3nnc(CC)o3)c2c1
InChIInChI=1S/C19H22N4O2/c1-5-13-7-8-16-14(10-13)15(9-12(3)20-16)19(24)23(4)11-18-22-21-17(6-2)25-18/h7-10H,5-6,11H2,1-4H3
InChIKeyVQRWHVPDUXUXPI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.32
Rot. Bonds5

About 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide

6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide (PubChem CID 70727244) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide
PubChem CID70727244
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide
SMILESCCc1ccc2nc(C)cc(C(=O)N(C)Cc3nnc(CC)o3)c2c1
InChIInChI=1S/C19H22N4O2/c1-5-13-7-8-16-14(10-13)15(9-12(3)20-16)19(24)23(4)11-18-22-21-17(6-2)25-18/h7-10H,5-6,11H2,1-4H3
InChIKeyVQRWHVPDUXUXPI-UHFFFAOYSA-N
XLogP3.32
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide
CID 70707240
6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide
CID 70768616
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
CID 32520142
N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005859
N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide
CID 155945625
6-fluoro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489255
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
1-(2-tert-butyl-6-ethylquinolin-4-yl)ethanone
CID 82448312
6-ethyl-N,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46979234
(6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 70740250
2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
CID 55370471

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide?
The IUPAC name of 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide (CID 70727244) is 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide.
What is the SMILES notation for 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide?
The canonical SMILES for 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide is CCc1ccc2nc(C)cc(C(=O)N(C)Cc3nnc(CC)o3)c2c1.
What is the InChIKey of 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide?
The InChIKey is VQRWHVPDUXUXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-5-13-7-8-16-14(10-13)15(9-12(3)20-16)19(24)23(4)11-18-22-21-17(6-2)25-18/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide?
6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 70727244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).