N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

C20H16N4O2S — CID 2120387

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nnc(C4CC4)s3)c3ccccc3n2)o1
InChIInChI=1S/C20H16N4O2S/c1-11-6-9-17(26-11)16-10-14(13-4-2-3-5-15(13)21-16)18(25)22-20-24-23-19(27-20)12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H,22,24,25)
InChIKeyJUUIIYXORLGZHF-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.78
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (PubChem CID 2120387) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
PubChem CID2120387
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nnc(C4CC4)s3)c3ccccc3n2)o1
InChIInChI=1S/C20H16N4O2S/c1-11-6-9-17(26-11)16-10-14(13-4-2-3-5-15(13)21-16)18(25)22-20-24-23-19(27-20)12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H,22,24,25)
InChIKeyJUUIIYXORLGZHF-UHFFFAOYSA-N
XLogP4.78
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (CID 2120387) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nnc(C4CC4)s3)c3ccccc3n2)o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The InChIKey is JUUIIYXORLGZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-11-6-9-17(26-11)16-10-14(13-4-2-3-5-15(13)21-16)18(25)22-20-24-23-19(27-20)12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H,22,24,25).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2120387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).