2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide

C16H16N4O2S — CID 17028115

IUPAC2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide
SMILESCCCc1nnc(NC(=O)c2ccc3[nH]c(C)cc(=O)c3c2)s1
InChIInChI=1S/C16H16N4O2S/c1-3-4-14-19-20-16(23-14)18-15(22)10-5-6-12-11(8-10)13(21)7-9(2)17-12/h5-8H,3-4H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyJOJWNZRUNNMIMP-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.89
Rot. Bonds4

About 2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide

2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide (PubChem CID 17028115) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide
PubChem CID17028115
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide
SMILESCCCc1nnc(NC(=O)c2ccc3[nH]c(C)cc(=O)c3c2)s1
InChIInChI=1S/C16H16N4O2S/c1-3-4-14-19-20-16(23-14)18-15(22)10-5-6-12-11(8-10)13(21)7-9(2)17-12/h5-8H,3-4H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyJOJWNZRUNNMIMP-UHFFFAOYSA-N
XLogP2.89
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide?
The IUPAC name of 2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide (CID 17028115) is 2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide is CCCc1nnc(NC(=O)c2ccc3[nH]c(C)cc(=O)c3c2)s1.
What is the InChIKey of 2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide?
The InChIKey is JOJWNZRUNNMIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-3-4-14-19-20-16(23-14)18-15(22)10-5-6-12-11(8-10)13(21)7-9(2)17-12/h5-8H,3-4H2,1-2H3,(H,17,21)(H,18,20,22).
What are the key properties of 2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide?
2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-6-carboxamide is sourced from PubChem (CID 17028115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).