3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

C18H14FN3O2S — CID 4906437

IUPAC3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(cc12)C(=O)CCC3
InChIInChI=1S/C18H14FN3O2S/c19-9-3-1-4-10(7-9)21-17(24)16-15(20)12-8-11-13(22-18(12)25-16)5-2-6-14(11)23/h1,3-4,7-8H,2,5-6,20H2,(H,21,24)
InChIKeyBFMAPEOBBINCDN-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.79
Rot. Bonds2

About 3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 4906437) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
PubChem CID4906437
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(cc12)C(=O)CCC3
InChIInChI=1S/C18H14FN3O2S/c19-9-3-1-4-10(7-9)21-17(24)16-15(20)12-8-11-13(22-18(12)25-16)5-2-6-14(11)23/h1,3-4,7-8H,2,5-6,20H2,(H,21,24)
InChIKeyBFMAPEOBBINCDN-UHFFFAOYSA-N
XLogP3.79
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide (CID 4906437) is 3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is Nc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(cc12)C(=O)CCC3.
What is the InChIKey of 3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is BFMAPEOBBINCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-9-3-1-4-10(7-9)21-17(24)16-15(20)12-8-11-13(22-18(12)25-16)5-2-6-14(11)23/h1,3-4,7-8H,2,5-6,20H2,(H,21,24).
What are the key properties of 3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluorophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 4906437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).