6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

C17H10ClN5OS — CID 2221228

IUPAC6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nncs1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H10ClN5OS/c18-11-1-2-14-12(7-11)13(16(24)22-17-23-20-9-25-17)8-15(21-14)10-3-5-19-6-4-10/h1-9H,(H,22,23,24)
InChIKeyRFBPGRBCNFQAHY-UHFFFAOYSA-N
MW367.82 g/mol
LogP4.05
Rot. Bonds3

About 6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 2221228) has the molecular formula C17H10ClN5OS and a molecular weight of 367.82 g/mol. Its IUPAC name is 6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
PubChem CID2221228
Molecular FormulaC17H10ClN5OS
Molecular Weight367.82 g/mol
Exact Mass367.03
IUPAC Name6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nncs1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H10ClN5OS/c18-11-1-2-14-12(7-11)13(16(24)22-17-23-20-9-25-17)8-15(21-14)10-3-5-19-6-4-10/h1-9H,(H,22,23,24)
InChIKeyRFBPGRBCNFQAHY-UHFFFAOYSA-N
XLogP4.05
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 2221228) is 6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nncs1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is RFBPGRBCNFQAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN5OS/c18-11-1-2-14-12(7-11)13(16(24)22-17-23-20-9-25-17)8-15(21-14)10-3-5-19-6-4-10/h1-9H,(H,22,23,24).
What are the key properties of 6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 367.82 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyridin-4-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2221228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).