6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide

C19H14BrN5OS — CID 2220850

IUPAC6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Br)cc23)s1
InChIInChI=1S/C19H14BrN5OS/c1-2-17-24-25-19(27-17)23-18(26)13-10-16(15-5-3-4-8-21-15)22-14-7-6-11(20)9-12(13)14/h3-10H,2H2,1H3,(H,23,25,26)
InChIKeyFXHFMSTZNHHKAH-UHFFFAOYSA-N
MW440.33 g/mol
LogP4.73
Rot. Bonds4

About 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide

6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 2220850) has the molecular formula C19H14BrN5OS and a molecular weight of 440.33 g/mol. Its IUPAC name is 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID2220850
Molecular FormulaC19H14BrN5OS
Molecular Weight440.33 g/mol
Exact Mass439.01
IUPAC Name6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Br)cc23)s1
InChIInChI=1S/C19H14BrN5OS/c1-2-17-24-25-19(27-17)23-18(26)13-10-16(15-5-3-4-8-21-15)22-14-7-6-11(20)9-12(13)14/h3-10H,2H2,1H3,(H,23,25,26)
InChIKeyFXHFMSTZNHHKAH-UHFFFAOYSA-N
XLogP4.73
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 2220850) is 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide is CCc1nnc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Br)cc23)s1.
What is the InChIKey of 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is FXHFMSTZNHHKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5OS/c1-2-17-24-25-19(27-17)23-18(26)13-10-16(15-5-3-4-8-21-15)22-14-7-6-11(20)9-12(13)14/h3-10H,2H2,1H3,(H,23,25,26).
What are the key properties of 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 440.33 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).