7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile

C23H28N6OS — CID 146290510

IUPAC7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile
SMILESCOc1ccc2ccc(C#N)nc2c1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1
InChIInChI=1S/C23H28N6OS/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-27-26-20(31-21)18-17(30-6)10-8-14-7-9-15(13-24)25-19(14)18/h7-10,16,28H,11-12H2,1-6H3
InChIKeyVVBYLMCRDOCIPR-UHFFFAOYSA-N
MW436.59 g/mol
LogP4.38
Rot. Bonds4

About 7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile

7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile (PubChem CID 146290510) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is 7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile
PubChem CID146290510
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC Name7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile
SMILESCOc1ccc2ccc(C#N)nc2c1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1
InChIInChI=1S/C23H28N6OS/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-27-26-20(31-21)18-17(30-6)10-8-14-7-9-15(13-24)25-19(14)18/h7-10,16,28H,11-12H2,1-6H3
InChIKeyVVBYLMCRDOCIPR-UHFFFAOYSA-N
XLogP4.38
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile?
The IUPAC name of 7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile (CID 146290510) is 7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile.
What is the SMILES notation for 7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile?
The canonical SMILES for 7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile is COc1ccc2ccc(C#N)nc2c1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.
What is the InChIKey of 7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile?
The InChIKey is VVBYLMCRDOCIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-22(2)11-16(12-23(3,4)28-22)29(5)21-27-26-20(31-21)18-17(30-6)10-8-14-7-9-15(13-24)25-19(14)18/h7-10,16,28H,11-12H2,1-6H3.
What are the key properties of 7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile?
7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile has a molecular weight of 436.59 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]quinoline-2-carbonitrile is sourced from PubChem (CID 146290510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).