1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide

C17H18N4O3S — CID 54687824

IUPAC1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2c(O)c3ccccc3n(CC)c2=O)s1
InChIInChI=1S/C17H18N4O3S/c1-3-7-12-19-20-17(25-12)18-15(23)13-14(22)10-8-5-6-9-11(10)21(4-2)16(13)24/h5-6,8-9,22H,3-4,7H2,1-2H3,(H,18,20,23)
InChIKeyZUIKGMICGHFJCG-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.78
Rot. Bonds5

About 1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide

1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (PubChem CID 54687824) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
PubChem CID54687824
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2c(O)c3ccccc3n(CC)c2=O)s1
InChIInChI=1S/C17H18N4O3S/c1-3-7-12-19-20-17(25-12)18-15(23)13-14(22)10-8-5-6-9-11(10)21(4-2)16(13)24/h5-6,8-9,22H,3-4,7H2,1-2H3,(H,18,20,23)
InChIKeyZUIKGMICGHFJCG-UHFFFAOYSA-N
XLogP2.78
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54679776
1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 54690333
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 162670092
1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 162650003
1-ethyl-4-hydroxy-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 162654682
1-ethyl-4-hydroxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 162645930
1-ethyl-4-hydroxy-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 162673526
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54698889
5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865415
1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 89188317
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54727726

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (CID 54687824) is 1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is CCCc1nnc(NC(=O)c2c(O)c3ccccc3n(CC)c2=O)s1.
What is the InChIKey of 1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The InChIKey is ZUIKGMICGHFJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-3-7-12-19-20-17(25-12)18-15(23)13-14(22)10-8-5-6-9-11(10)21(4-2)16(13)24/h5-6,8-9,22H,3-4,7H2,1-2H3,(H,18,20,23).
What are the key properties of 1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 54687824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).