3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C20H20FN3OS — CID 3418824

IUPAC3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCC1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3cc2C1
InChIInChI=1S/C20H20FN3OS/c1-2-11-7-8-15-12(9-11)10-13-17(22)18(26-20(13)24-15)19(25)23-16-6-4-3-5-14(16)21/h3-6,10-11H,2,7-9,22H2,1H3,(H,23,25)
InChIKeyINENRHICQOWBEB-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.78
Rot. Bonds3

About 3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3418824) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID3418824
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCC1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3cc2C1
InChIInChI=1S/C20H20FN3OS/c1-2-11-7-8-15-12(9-11)10-13-17(22)18(26-20(13)24-15)19(25)23-16-6-4-3-5-14(16)21/h3-6,10-11H,2,7-9,22H2,1H3,(H,23,25)
InChIKeyINENRHICQOWBEB-UHFFFAOYSA-N
XLogP4.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 3418824) is 3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CCC1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3cc2C1.
What is the InChIKey of 3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is INENRHICQOWBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-2-11-7-8-15-12(9-11)10-13-17(22)18(26-20(13)24-15)19(25)23-16-6-4-3-5-14(16)21/h3-6,10-11H,2,7-9,22H2,1H3,(H,23,25).
What are the key properties of 3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3418824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).