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

C18H19N3O2S — CID 118218972

IUPAC3-amino-4-(furan-2-yl)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCC1(C)CCc2c(nc3sc(C(N)=O)c(N)c3c2-c2ccco2)C1
InChIInChI=1S/C18H19N3O2S/c1-18(2)6-5-9-10(8-18)21-17-13(12(9)11-4-3-7-23-11)14(19)15(24-17)16(20)22/h3-4,7H,5-6,8,19H2,1-2H3,(H2,20,22)
InChIKeyBPTFGRHJADOZNR-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.75
Rot. Bonds2

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

3-amino-4-(furan-2-yl)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 118218972) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-amino-4-(furan-2-yl)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(furan-2-yl)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide
PubChem CID118218972
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-amino-4-(furan-2-yl)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide
SMILESCC1(C)CCc2c(nc3sc(C(N)=O)c(N)c3c2-c2ccco2)C1
InChIInChI=1S/C18H19N3O2S/c1-18(2)6-5-9-10(8-18)21-17-13(12(9)11-4-3-7-23-11)14(19)15(24-17)16(20)22/h3-4,7H,5-6,8,19H2,1-2H3,(H2,20,22)
InChIKeyBPTFGRHJADOZNR-UHFFFAOYSA-N
XLogP3.75
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.75
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)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-4-(furan-2-yl)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide (CID 118218972) is 3-amino-4-(furan-2-yl)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-4-(furan-2-yl)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-4-(furan-2-yl)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide is CC1(C)CCc2c(nc3sc(C(N)=O)c(N)c3c2-c2ccco2)C1.
What is the InChIKey of 3-amino-4-(furan-2-yl)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is BPTFGRHJADOZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-18(2)6-5-9-10(8-18)21-17-13(12(9)11-4-3-7-23-11)14(19)15(24-17)16(20)22/h3-4,7H,5-6,8,19H2,1-2H3,(H2,20,22).
What are the key properties of 3-amino-4-(furan-2-yl)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide?
3-amino-4-(furan-2-yl)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.75, 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)-7,7-dimethyl-6,8-dihydro-5H-thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 118218972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).