(4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide

C17H20N4O2S — CID 26005935

IUPAC(4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCCCCc1nnc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C17H20N4O2S/c1-2-3-4-9-15-20-21-17(24-15)19-16(23)12-10-14(22)18-13-8-6-5-7-11(12)13/h5-8,12H,2-4,9-10H2,1H3,(H,18,22)(H,19,21,23)/t12-/m1/s1
InChIKeyNEVVYNVCATZAOF-GFCCVEGCSA-N
MW344.44 g/mol
LogP3.34
Rot. Bonds6

About (4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 26005935) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID26005935
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCCCCc1nnc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C17H20N4O2S/c1-2-3-4-9-15-20-21-17(24-15)19-16(23)12-10-14(22)18-13-8-6-5-7-11(12)13/h5-8,12H,2-4,9-10H2,1H3,(H,18,22)(H,19,21,23)/t12-/m1/s1
InChIKeyNEVVYNVCATZAOF-GFCCVEGCSA-N
XLogP3.34
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 944946
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CID 1091333
3-(2-ethylbutanoylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2963095
N-(4-ethylphenyl)-N'-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 941605
N1-(5-isobutyl-1,3,4-thiadiazol-2-yl)-N4-phenylsuccinamide
CID 944343
N-(5-tert-Butyl-[1,3,4]thiadiazol-2-yl)-3-isobutyrylamino-benzamide
CID 891134
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-3-isobutyrylamino-benzamide
CID 978132
3-Isobutyrylamino-N-(5-isopropyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 1080674
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-(isobutyrylamino)benzamide
CID 1291325
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
CID 1300351
N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(4-methylphenyl)butanediamide
CID 1402158
4-(4-(2,5-dimethylphenyl)piperazin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 1423527

Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 26005935) is (4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide is CCCCCc1nnc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)s1.
What is the InChIKey of (4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is NEVVYNVCATZAOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-2-3-4-9-15-20-21-17(24-15)19-16(23)12-10-14(22)18-13-8-6-5-7-11(12)13/h5-8,12H,2-4,9-10H2,1H3,(H,18,22)(H,19,21,23)/t12-/m1/s1.
What are the key properties of (4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 26005935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).