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

C17H17N3O2S — CID 46884286

IUPAC3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC1CCCc2c1nc1sc(C(N)=O)c(N)c1c2-c1ccco1
InChIInChI=1S/C17H17N3O2S/c1-8-4-2-5-9-11(10-6-3-7-22-10)12-13(18)15(16(19)21)23-17(12)20-14(8)9/h3,6-8H,2,4-5,18H2,1H3,(H2,19,21)
InChIKeyXVGQABLVENFIIP-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.68
Rot. Bonds2

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

3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 46884286) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID46884286
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC1CCCc2c1nc1sc(C(N)=O)c(N)c1c2-c1ccco1
InChIInChI=1S/C17H17N3O2S/c1-8-4-2-5-9-11(10-6-3-7-22-10)12-13(18)15(16(19)21)23-17(12)20-14(8)9/h3,6-8H,2,4-5,18H2,1H3,(H2,19,21)
InChIKeyXVGQABLVENFIIP-UHFFFAOYSA-N
XLogP3.68
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.68
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)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 46884286) is 3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CC1CCCc2c1nc1sc(C(N)=O)c(N)c1c2-c1ccco1.
What is the InChIKey of 3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is XVGQABLVENFIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-8-4-2-5-9-11(10-6-3-7-22-10)12-13(18)15(16(19)21)23-17(12)20-14(8)9/h3,6-8H,2,4-5,18H2,1H3,(H2,19,21).
What are the key properties of 3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.68, 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)-8-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 46884286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).