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

C18H15FN6S — CID 118009887

IUPACN-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESFc1cccc(Nc2nc3cc(C4NNNN4)ccc3c3sccc23)c1
InChIInChI=1S/C18H15FN6S/c19-11-2-1-3-12(9-11)20-18-14-6-7-26-16(14)13-5-4-10(8-15(13)21-18)17-22-24-25-23-17/h1-9,17,22-25H,(H,20,21)
InChIKeyNIGSCDHTNGFATO-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.45
Rot. Bonds3

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

N-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine (PubChem CID 118009887) has the molecular formula C18H15FN6S and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine
PubChem CID118009887
Molecular FormulaC18H15FN6S
Molecular Weight366.43 g/mol
Exact Mass366.11
IUPAC NameN-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine
SMILESFc1cccc(Nc2nc3cc(C4NNNN4)ccc3c3sccc23)c1
InChIInChI=1S/C18H15FN6S/c19-11-2-1-3-12(9-11)20-18-14-6-7-26-16(14)13-5-4-10(8-15(13)21-18)17-22-24-25-23-17/h1-9,17,22-25H,(H,20,21)
InChIKeyNIGSCDHTNGFATO-UHFFFAOYSA-N
XLogP3.45
TPSA73.04 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine (CID 118009887) is N-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine is Fc1cccc(Nc2nc3cc(C4NNNN4)ccc3c3sccc23)c1.
What is the InChIKey of N-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine?
The InChIKey is NIGSCDHTNGFATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6S/c19-11-2-1-3-12(9-11)20-18-14-6-7-26-16(14)13-5-4-10(8-15(13)21-18)17-22-24-25-23-17/h1-9,17,22-25H,(H,20,21).
What are the key properties of N-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine?
N-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine has a molecular weight of 366.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-7-(tetrazolidin-5-yl)thieno[3,2-c]quinolin-4-amine is sourced from PubChem (CID 118009887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).