2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

C19H13ClN4OS — CID 1371774

IUPAC2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)s1
InChIInChI=1S/C19H13ClN4OS/c1-11-23-24-19(26-11)22-18(25)15-10-17(12-6-8-13(20)9-7-12)21-16-5-3-2-4-14(15)16/h2-10H,1H3,(H,22,24,25)
InChIKeyZARJGWVFTXRPTK-UHFFFAOYSA-N
MW380.86 g/mol
LogP4.97
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 1371774) has the molecular formula C19H13ClN4OS and a molecular weight of 380.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
PubChem CID1371774
Molecular FormulaC19H13ClN4OS
Molecular Weight380.86 g/mol
Exact Mass380.05
IUPAC Name2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)s1
InChIInChI=1S/C19H13ClN4OS/c1-11-23-24-19(26-11)22-18(25)15-10-17(12-6-8-13(20)9-7-12)21-16-5-3-2-4-14(15)16/h2-10H,1H3,(H,22,24,25)
InChIKeyZARJGWVFTXRPTK-UHFFFAOYSA-N
XLogP4.97
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 1371774) is 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is Cc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)s1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is ZARJGWVFTXRPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4OS/c1-11-23-24-19(26-11)22-18(25)15-10-17(12-6-8-13(20)9-7-12)21-16-5-3-2-4-14(15)16/h2-10H,1H3,(H,22,24,25).
What are the key properties of 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 380.86 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1371774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).