[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate

C17H18N4O3 — CID 99702824

IUPAC[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate
SMILESCc1nnc([C@@H](C)OC(=O)c2cc(N(C)C)nc3ccccc23)o1
InChIInChI=1S/C17H18N4O3/c1-10(16-20-19-11(2)24-16)23-17(22)13-9-15(21(3)4)18-14-8-6-5-7-12(13)14/h5-10H,1-4H3/t10-/m1/s1
InChIKeySCPSLEAAWHFHSU-SNVBAGLBSA-N
MW326.36 g/mol
LogP2.91
Rot. Bonds4

About [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate

[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate (PubChem CID 99702824) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate
PubChem CID99702824
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate
SMILESCc1nnc([C@@H](C)OC(=O)c2cc(N(C)C)nc3ccccc23)o1
InChIInChI=1S/C17H18N4O3/c1-10(16-20-19-11(2)24-16)23-17(22)13-9-15(21(3)4)18-14-8-6-5-7-12(13)14/h5-10H,1-4H3/t10-/m1/s1
InChIKeySCPSLEAAWHFHSU-SNVBAGLBSA-N
XLogP2.91
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate with MolForge

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Related Compounds

1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 55390008
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 2-bromo-4-chlorobenzoate
CID 86779255
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 2-fluoro-5-(trifluoromethyl)benzoate
CID 75513033
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825432
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate
CID 18199717
[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 99644909
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-methylbenzoate
CID 9202539
1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl 4-chloro-2-ethylsulfanylbenzoate
CID 84600040
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 3-methyl-2-oxo-1,3-benzoxazole-7-carboxylate
CID 97327760
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 8939044
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] naphthalene-1-carboxylate
CID 9290248

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate?
The IUPAC name of [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate (CID 99702824) is [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate.
What is the SMILES notation for [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate?
The canonical SMILES for [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate is Cc1nnc([C@@H](C)OC(=O)c2cc(N(C)C)nc3ccccc23)o1.
What is the InChIKey of [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate?
The InChIKey is SCPSLEAAWHFHSU-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10(16-20-19-11(2)24-16)23-17(22)13-9-15(21(3)4)18-14-8-6-5-7-12(13)14/h5-10H,1-4H3/t10-/m1/s1.
What are the key properties of [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate?
[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate has a molecular weight of 326.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(dimethylamino)quinoline-4-carboxylate is sourced from PubChem (CID 99702824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).