N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine

C20H20N6O2S — CID 118009879

IUPACN-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESCOc1cc(Nc2nc3cc(C4NNNN4)ccc3c3sccc23)cc(OC)c1
InChIInChI=1S/C20H20N6O2S/c1-27-13-8-12(9-14(10-13)28-2)21-20-16-5-6-29-18(16)15-4-3-11(7-17(15)22-20)19-23-25-26-24-19/h3-10,19,23-26H,1-2H3,(H,21,22)
InChIKeyMBRVLHLEXMQIMD-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.33
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine

N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine (PubChem CID 118009879) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine
PubChem CID118009879
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC NameN-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESCOc1cc(Nc2nc3cc(C4NNNN4)ccc3c3sccc23)cc(OC)c1
InChIInChI=1S/C20H20N6O2S/c1-27-13-8-12(9-14(10-13)28-2)21-20-16-5-6-29-18(16)15-4-3-11(7-17(15)22-20)19-23-25-26-24-19/h3-10,19,23-26H,1-2H3,(H,21,22)
InChIKeyMBRVLHLEXMQIMD-UHFFFAOYSA-N
XLogP3.33
TPSA91.50 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine (CID 118009879) is N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine is COc1cc(Nc2nc3cc(C4NNNN4)ccc3c3sccc23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine?
The InChIKey is MBRVLHLEXMQIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-27-13-8-12(9-14(10-13)28-2)21-20-16-5-6-29-18(16)15-4-3-11(7-17(15)22-20)19-23-25-26-24-19/h3-10,19,23-26H,1-2H3,(H,21,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine?
N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine has a molecular weight of 408.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine is sourced from PubChem (CID 118009879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).