2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine

C17H15ClN2S — CID 102077897

IUPAC2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine
SMILESNc1c2c(nc3cc(-c4ccc(Cl)cc4)sc13)CCCC2
InChIInChI=1S/C17H15ClN2S/c18-11-7-5-10(6-8-11)15-9-14-17(21-15)16(19)12-3-1-2-4-13(12)20-14/h5-9H,1-4H2,(H2,19,20)
InChIKeyFWBYVKGBDHDDGL-UHFFFAOYSA-N
MW314.84 g/mol
LogP5.08
Rot. Bonds1

About 2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine

2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine (PubChem CID 102077897) has the molecular formula C17H15ClN2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine
PubChem CID102077897
Molecular FormulaC17H15ClN2S
Molecular Weight314.84 g/mol
Exact Mass314.06
IUPAC Name2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine
SMILESNc1c2c(nc3cc(-c4ccc(Cl)cc4)sc13)CCCC2
InChIInChI=1S/C17H15ClN2S/c18-11-7-5-10(6-8-11)15-9-14-17(21-15)16(19)12-3-1-2-4-13(12)20-14/h5-9H,1-4H2,(H2,19,20)
InChIKeyFWBYVKGBDHDDGL-UHFFFAOYSA-N
XLogP5.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.84
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine?
The IUPAC name of 2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine (CID 102077897) is 2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine?
The canonical SMILES for 2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine is Nc1c2c(nc3cc(-c4ccc(Cl)cc4)sc13)CCCC2.
What is the InChIKey of 2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine?
The InChIKey is FWBYVKGBDHDDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2S/c18-11-7-5-10(6-8-11)15-9-14-17(21-15)16(19)12-3-1-2-4-13(12)20-14/h5-9H,1-4H2,(H2,19,20).
What are the key properties of 2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine?
2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine has a molecular weight of 314.84 g/mol, XLogP of 5.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[3,2-b]quinolin-9-amine is sourced from PubChem (CID 102077897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).