3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C14H17N3OS — CID 6463985

IUPAC3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCC1CCc2nc3sc(C(N)=O)c(N)c3cc2C1
InChIInChI=1S/C14H17N3OS/c1-2-7-3-4-10-8(5-7)6-9-11(15)12(13(16)18)19-14(9)17-10/h6-7H,2-5,15H2,1H3,(H2,16,18)
InChIKeyDEKYOUYRRZTGSN-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.49
Rot. Bonds2

About 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 6463985) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID6463985
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCC1CCc2nc3sc(C(N)=O)c(N)c3cc2C1
InChIInChI=1S/C14H17N3OS/c1-2-7-3-4-10-8(5-7)6-9-11(15)12(13(16)18)19-14(9)17-10/h6-7H,2-5,15H2,1H3,(H2,16,18)
InChIKeyDEKYOUYRRZTGSN-UHFFFAOYSA-N
XLogP2.49
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 6463985) is 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CCC1CCc2nc3sc(C(N)=O)c(N)c3cc2C1.
What is the InChIKey of 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is DEKYOUYRRZTGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-7-3-4-10-8(5-7)6-9-11(15)12(13(16)18)19-14(9)17-10/h6-7H,2-5,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 6463985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).