N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide

C21H18N2OS — CID 20966466

IUPACN-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc3cc4cc(C)ccc4nc3s2)c1
InChIInChI=1S/C21H18N2OS/c1-12-5-7-17-15(8-12)10-16-11-19(25-21(16)23-17)20(24)22-18-9-13(2)4-6-14(18)3/h4-11H,1-3H3,(H,22,24)
InChIKeyHYPQCZVYJKJNQF-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.63
Rot. Bonds2

About N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide

N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 20966466) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID20966466
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC NameN-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc3cc4cc(C)ccc4nc3s2)c1
InChIInChI=1S/C21H18N2OS/c1-12-5-7-17-15(8-12)10-16-11-19(25-21(16)23-17)20(24)22-18-9-13(2)4-6-14(18)3/h4-11H,1-3H3,(H,22,24)
InChIKeyHYPQCZVYJKJNQF-UHFFFAOYSA-N
XLogP5.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide (CID 20966466) is N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide is Cc1ccc(C)c(NC(=O)c2cc3cc4cc(C)ccc4nc3s2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is HYPQCZVYJKJNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-12-5-7-17-15(8-12)10-16-11-19(25-21(16)23-17)20(24)22-18-9-13(2)4-6-14(18)3/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20966466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).