3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide

C19H21N3O2S — CID 118219025

IUPAC3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCC1CC(C)(C)Cc2nc3sc(C(N)=O)c(N)c3c(-c3ccco3)c21
InChIInChI=1S/C19H21N3O2S/c1-9-7-19(2,3)8-10-12(9)13(11-5-4-6-24-11)14-15(20)16(17(21)23)25-18(14)22-10/h4-6,9H,7-8,20H2,1-3H3,(H2,21,23)
InChIKeyFTSNRENPGMQIET-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.31
Rot. Bonds2

About 3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide

3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 118219025) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide
PubChem CID118219025
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCC1CC(C)(C)Cc2nc3sc(C(N)=O)c(N)c3c(-c3ccco3)c21
InChIInChI=1S/C19H21N3O2S/c1-9-7-19(2,3)8-10-12(9)13(11-5-4-6-24-11)14-15(20)16(17(21)23)25-18(14)22-10/h4-6,9H,7-8,20H2,1-3H3,(H2,21,23)
InChIKeyFTSNRENPGMQIET-UHFFFAOYSA-N
XLogP4.31
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide (CID 118219025) is 3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide is CC1CC(C)(C)Cc2nc3sc(C(N)=O)c(N)c3c(-c3ccco3)c21.
What is the InChIKey of 3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is FTSNRENPGMQIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-9-7-19(2,3)8-10-12(9)13(11-5-4-6-24-11)14-15(20)16(17(21)23)25-18(14)22-10/h4-6,9H,7-8,20H2,1-3H3,(H2,21,23).
What are the key properties of 3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide?
3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(furan-2-yl)-5,7,7-trimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 118219025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).