2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide

C17H17N3O2S — CID 142801737

IUPAC2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOc1ccc2c(c1)CC(c1cc3cc(C(N)=O)[nH]c3s1)CN2
InChIInChI=1S/C17H17N3O2S/c1-22-12-2-3-13-9(5-12)4-11(8-19-13)15-7-10-6-14(16(18)21)20-17(10)23-15/h2-3,5-7,11,19-20H,4,8H2,1H3,(H2,18,21)
InChIKeyPCYYDMPVWNGXLZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.09
Rot. Bonds3

About 2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide

2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 142801737) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID142801737
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOc1ccc2c(c1)CC(c1cc3cc(C(N)=O)[nH]c3s1)CN2
InChIInChI=1S/C17H17N3O2S/c1-22-12-2-3-13-9(5-12)4-11(8-19-13)15-7-10-6-14(16(18)21)20-17(10)23-15/h2-3,5-7,11,19-20H,4,8H2,1H3,(H2,18,21)
InChIKeyPCYYDMPVWNGXLZ-UHFFFAOYSA-N
XLogP3.09
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide (CID 142801737) is 2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide is COc1ccc2c(c1)CC(c1cc3cc(C(N)=O)[nH]c3s1)CN2.
What is the InChIKey of 2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is PCYYDMPVWNGXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-22-12-2-3-13-9(5-12)4-11(8-19-13)15-7-10-6-14(16(18)21)20-17(10)23-15/h2-3,5-7,11,19-20H,4,8H2,1H3,(H2,18,21).
What are the key properties of 2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide?
2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,2,3,4-tetrahydroquinolin-3-yl)-6H-thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 142801737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).