6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine

C20H14N4OS — CID 1156715

IUPAC6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine
SMILESCc1ccc2nc3sc(-c4nnc(-c5ccccc5)o4)c(N)c3cc2c1
InChIInChI=1S/C20H14N4OS/c1-11-7-8-15-13(9-11)10-14-16(21)17(26-20(14)22-15)19-24-23-18(25-19)12-5-3-2-4-6-12/h2-10H,21H2,1H3
InChIKeyQANIPIUPYAPNGJ-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.06
Rot. Bonds2

About 6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine

6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine (PubChem CID 1156715) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine.

Molecular Properties

Compound Name6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine
PubChem CID1156715
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine
SMILESCc1ccc2nc3sc(-c4nnc(-c5ccccc5)o4)c(N)c3cc2c1
InChIInChI=1S/C20H14N4OS/c1-11-7-8-15-13(9-11)10-14-16(21)17(26-20(14)22-15)19-24-23-18(25-19)12-5-3-2-4-6-12/h2-10H,21H2,1H3
InChIKeyQANIPIUPYAPNGJ-UHFFFAOYSA-N
XLogP5.06
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine?
The IUPAC name of 6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine (CID 1156715) is 6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine.
What is the SMILES notation for 6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine?
The canonical SMILES for 6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine is Cc1ccc2nc3sc(-c4nnc(-c5ccccc5)o4)c(N)c3cc2c1.
What is the InChIKey of 6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine?
The InChIKey is QANIPIUPYAPNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-11-7-8-15-13(9-11)10-14-16(21)17(26-20(14)22-15)19-24-23-18(25-19)12-5-3-2-4-6-12/h2-10H,21H2,1H3.
What are the key properties of 6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine?
6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine has a molecular weight of 358.43 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)thieno[2,3-b]quinolin-3-amine is sourced from PubChem (CID 1156715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).