2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

C17H17ClN4O2S — CID 43833012

IUPAC2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)s1
InChIInChI=1S/C17H17ClN4O2S/c1-10(2)7-16-20-21-17(25-16)19-15(24)9-22-6-5-14(23)12-8-11(18)3-4-13(12)22/h3-6,8,10H,7,9H2,1-2H3,(H,19,21,24)
InChIKeyDNFSYRVPSAVUGC-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.34
Rot. Bonds5

About 2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 43833012) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID43833012
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)s1
InChIInChI=1S/C17H17ClN4O2S/c1-10(2)7-16-20-21-17(25-16)19-15(24)9-22-6-5-14(23)12-8-11(18)3-4-13(12)22/h3-6,8,10H,7,9H2,1-2H3,(H,19,21,24)
InChIKeyDNFSYRVPSAVUGC-UHFFFAOYSA-N
XLogP3.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 43833012) is 2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(C)Cc1nnc(NC(=O)Cn2ccc(=O)c3cc(Cl)ccc32)s1.
What is the InChIKey of 2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is DNFSYRVPSAVUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-10(2)7-16-20-21-17(25-16)19-15(24)9-22-6-5-14(23)12-8-11(18)3-4-13(12)22/h3-6,8,10H,7,9H2,1-2H3,(H,19,21,24).
What are the key properties of 2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 376.87 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinolin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 43833012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).