N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide

C21H18N2OS — CID 3628119

IUPACN-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCCc1cccc(NC(=O)c2cc3cc4ccc(C)cc4nc3s2)c1
InChIInChI=1S/C21H18N2OS/c1-3-14-5-4-6-17(10-14)22-20(24)19-12-16-11-15-8-7-13(2)9-18(15)23-21(16)25-19/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyLLBGHOHGICNDKB-UHFFFAOYSA-N
MW346.46 g/mol
LogP5.57
Rot. Bonds3

About N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide

N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 3628119) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID3628119
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC NameN-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCCc1cccc(NC(=O)c2cc3cc4ccc(C)cc4nc3s2)c1
InChIInChI=1S/C21H18N2OS/c1-3-14-5-4-6-17(10-14)22-20(24)19-12-16-11-15-8-7-13(2)9-18(15)23-21(16)25-19/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyLLBGHOHGICNDKB-UHFFFAOYSA-N
XLogP5.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide (CID 3628119) is N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide is CCc1cccc(NC(=O)c2cc3cc4ccc(C)cc4nc3s2)c1.
What is the InChIKey of N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is LLBGHOHGICNDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c1-3-14-5-4-6-17(10-14)22-20(24)19-12-16-11-15-8-7-13(2)9-18(15)23-21(16)25-19/h4-12H,3H2,1-2H3,(H,22,24).
What are the key properties of N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide?
N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3628119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).