3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C22H18FN3O2S — CID 1341891

IUPAC3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(c(-c4ccco4)c12)CCCC3
InChIInChI=1S/C22H18FN3O2S/c23-12-5-3-6-13(11-12)25-21(27)20-19(24)18-17(16-9-4-10-28-16)14-7-1-2-8-15(14)26-22(18)29-20/h3-6,9-11H,1-2,7-8,24H2,(H,25,27)
InChIKeyILQAYHPBBGSCEU-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.41
Rot. Bonds3

About 3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1341891) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID1341891
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC Name3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(c(-c4ccco4)c12)CCCC3
InChIInChI=1S/C22H18FN3O2S/c23-12-5-3-6-13(11-12)25-21(27)20-19(24)18-17(16-9-4-10-28-16)14-7-1-2-8-15(14)26-22(18)29-20/h3-6,9-11H,1-2,7-8,24H2,(H,25,27)
InChIKeyILQAYHPBBGSCEU-UHFFFAOYSA-N
XLogP5.41
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.41
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)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 1341891) is 3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is Nc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(c(-c4ccco4)c12)CCCC3.
What is the InChIKey of 3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is ILQAYHPBBGSCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c23-12-5-3-6-13(11-12)25-21(27)20-19(24)18-17(16-9-4-10-28-16)14-7-1-2-8-15(14)26-22(18)29-20/h3-6,9-11H,1-2,7-8,24H2,(H,25,27).
What are the key properties of 3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(3-fluorophenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 5.41, 3 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)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1341891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).