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

C17H17N3OS2 — CID 59854867

IUPAC3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC1CCc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1
InChIInChI=1S/C17H17N3OS2/c1-8-4-5-10-9(7-8)12(11-3-2-6-22-11)13-14(18)15(16(19)21)23-17(13)20-10/h2-3,6,8H,4-5,7,18H2,1H3,(H2,19,21)
InChIKeyHUFGJBLZKOBKPE-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.83
Rot. Bonds2

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

3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 59854867) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID59854867
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCC1CCc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1
InChIInChI=1S/C17H17N3OS2/c1-8-4-5-10-9(7-8)12(11-3-2-6-22-11)13-14(18)15(16(19)21)23-17(13)20-10/h2-3,6,8H,4-5,7,18H2,1H3,(H2,19,21)
InChIKeyHUFGJBLZKOBKPE-UHFFFAOYSA-N
XLogP3.83
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 59854867) is 3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CC1CCc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1.
What is the InChIKey of 3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is HUFGJBLZKOBKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-8-4-5-10-9(7-8)12(11-3-2-6-22-11)13-14(18)15(16(19)21)23-17(13)20-10/h2-3,6,8H,4-5,7,18H2,1H3,(H2,19,21).
What are the key properties of 3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 59854867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).