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

C16H16N4O3S — CID 43831767

IUPAC6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2c[nH]c3ccc(OC)cc3c2=O)s1
InChIInChI=1S/C16H16N4O3S/c1-3-4-13-19-20-16(24-13)18-15(22)11-8-17-12-6-5-9(23-2)7-10(12)14(11)21/h5-8H,3-4H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyURRULVAAJCHDEU-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.59
Rot. Bonds5

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

6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide (PubChem CID 43831767) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
PubChem CID43831767
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
SMILESCCCc1nnc(NC(=O)c2c[nH]c3ccc(OC)cc3c2=O)s1
InChIInChI=1S/C16H16N4O3S/c1-3-4-13-19-20-16(24-13)18-15(22)11-8-17-12-6-5-9(23-2)7-10(12)14(11)21/h5-8H,3-4H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyURRULVAAJCHDEU-UHFFFAOYSA-N
XLogP2.59
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide (CID 43831767) is 6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide is CCCc1nnc(NC(=O)c2c[nH]c3ccc(OC)cc3c2=O)s1.
What is the InChIKey of 6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
The InChIKey is URRULVAAJCHDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-3-4-13-19-20-16(24-13)18-15(22)11-8-17-12-6-5-9(23-2)7-10(12)14(11)21/h5-8H,3-4H2,1-2H3,(H,17,21)(H,18,20,22).
What are the key properties of 6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide?
6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 43831767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).