N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide

C21H18N2O3S — CID 15990496

IUPACN-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1
InChIInChI=1S/C21H18N2O3S/c1-3-26-16-6-4-15(5-7-16)22-20(24)19-12-14-10-13-11-17(25-2)8-9-18(13)23-21(14)27-19/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyUIVXNASGFBLBJR-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.11
Rot. Bonds5

About N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide

N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 15990496) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID15990496
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1
InChIInChI=1S/C21H18N2O3S/c1-3-26-16-6-4-15(5-7-16)22-20(24)19-12-14-10-13-11-17(25-2)8-9-18(13)23-21(14)27-19/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyUIVXNASGFBLBJR-UHFFFAOYSA-N
XLogP5.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 15990496) is N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide is CCOc1ccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is UIVXNASGFBLBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-3-26-16-6-4-15(5-7-16)22-20(24)19-12-14-10-13-11-17(25-2)8-9-18(13)23-21(14)27-19/h4-12H,3H2,1-2H3,(H,22,24).
What are the key properties of N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 15990496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).