N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

C23H22N2O2S — CID 20865347

IUPACN-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)N(C)c3ccc(C)c(C)c3)sc2c2ccccc21
InChIInChI=1S/C23H22N2O2S/c1-5-25-19-9-7-6-8-17(19)21-18(22(25)26)13-20(28-21)23(27)24(4)16-11-10-14(2)15(3)12-16/h6-13H,5H2,1-4H3
InChIKeyYDCCDIBWHUDGMM-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.13
Rot. Bonds3

About N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20865347) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID20865347
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)N(C)c3ccc(C)c(C)c3)sc2c2ccccc21
InChIInChI=1S/C23H22N2O2S/c1-5-25-19-9-7-6-8-17(19)21-18(22(25)26)13-20(28-21)23(27)24(4)16-11-10-14(2)15(3)12-16/h6-13H,5H2,1-4H3
InChIKeyYDCCDIBWHUDGMM-UHFFFAOYSA-N
XLogP5.13
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 20865347) is N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCn1c(=O)c2cc(C(=O)N(C)c3ccc(C)c(C)c3)sc2c2ccccc21.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is YDCCDIBWHUDGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-5-25-19-9-7-6-8-17(19)21-18(22(25)26)13-20(28-21)23(27)24(4)16-11-10-14(2)15(3)12-16/h6-13H,5H2,1-4H3.
What are the key properties of N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20865347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).