N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide

C16H15N7O3S — CID 73353783

IUPACN-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCOc1ccc2cc(C3SC(NC(C)=O)=NN3C(C)=O)c3nnnn3c2c1
InChIInChI=1S/C16H15N7O3S/c1-8(24)17-16-19-22(9(2)25)15(27-16)12-6-10-4-5-11(26-3)7-13(10)23-14(12)18-20-21-23/h4-7,15H,1-3H3,(H,17,19,24)
InChIKeyRBRPAYVHMHFDKE-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.29
Rot. Bonds2

About N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide

N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide (PubChem CID 73353783) has the molecular formula C16H15N7O3S and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide
PubChem CID73353783
Molecular FormulaC16H15N7O3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC NameN-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide
SMILESCOc1ccc2cc(C3SC(NC(C)=O)=NN3C(C)=O)c3nnnn3c2c1
InChIInChI=1S/C16H15N7O3S/c1-8(24)17-16-19-22(9(2)25)15(27-16)12-6-10-4-5-11(26-3)7-13(10)23-14(12)18-20-21-23/h4-7,15H,1-3H3,(H,17,19,24)
InChIKeyRBRPAYVHMHFDKE-UHFFFAOYSA-N
XLogP1.29
TPSA114.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The IUPAC name of N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide (CID 73353783) is N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide.
What is the SMILES notation for N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The canonical SMILES for N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide is COc1ccc2cc(C3SC(NC(C)=O)=NN3C(C)=O)c3nnnn3c2c1.
What is the InChIKey of N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
The InChIKey is RBRPAYVHMHFDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O3S/c1-8(24)17-16-19-22(9(2)25)15(27-16)12-6-10-4-5-11(26-3)7-13(10)23-14(12)18-20-21-23/h4-7,15H,1-3H3,(H,17,19,24).
What are the key properties of N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide?
N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide has a molecular weight of 385.41 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-2-(8-methoxytetrazolo[1,5-a]quinolin-4-yl)-2H-1,3,4-thiadiazol-5-yl]acetamide is sourced from PubChem (CID 73353783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).