7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide

C18H20N2OS — CID 3628117

IUPAC7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)NCCC(C)C)sc3nc2c1
InChIInChI=1S/C18H20N2OS/c1-11(2)6-7-19-17(21)16-10-14-9-13-5-4-12(3)8-15(13)20-18(14)22-16/h4-5,8-11H,6-7H2,1-3H3,(H,19,21)
InChIKeyGTCFKGVUXPMKLA-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.53
Rot. Bonds4

About 7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide

7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3628117) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide
PubChem CID3628117
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2cc3cc(C(=O)NCCC(C)C)sc3nc2c1
InChIInChI=1S/C18H20N2OS/c1-11(2)6-7-19-17(21)16-10-14-9-13-5-4-12(3)8-15(13)20-18(14)22-16/h4-5,8-11H,6-7H2,1-3H3,(H,19,21)
InChIKeyGTCFKGVUXPMKLA-UHFFFAOYSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-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 7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide (CID 3628117) is 7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide is Cc1ccc2cc3cc(C(=O)NCCC(C)C)sc3nc2c1.
What is the InChIKey of 7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is GTCFKGVUXPMKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-11(2)6-7-19-17(21)16-10-14-9-13-5-4-12(3)8-15(13)20-18(14)22-16/h4-5,8-11H,6-7H2,1-3H3,(H,19,21).
What are the key properties of 7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide?
7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3628117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).