N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

C17H18N2O2S — CID 20857454

IUPACN-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1
InChIInChI=1S/C17H18N2O2S/c1-4-10(2)18-16(20)14-9-12-15(22-14)11-7-5-6-8-13(11)19(3)17(12)21/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyQZOGELMXWMYYMG-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.28
Rot. Bonds3

About N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20857454) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID20857454
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1
InChIInChI=1S/C17H18N2O2S/c1-4-10(2)18-16(20)14-9-12-15(22-14)11-7-5-6-8-13(11)19(3)17(12)21/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyQZOGELMXWMYYMG-UHFFFAOYSA-N
XLogP3.28
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 20857454) is N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCC(C)NC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1.
What is the InChIKey of N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is QZOGELMXWMYYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-4-10(2)18-16(20)14-9-12-15(22-14)11-7-5-6-8-13(11)19(3)17(12)21/h5-10H,4H2,1-3H3,(H,18,20).
What are the key properties of N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20857454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).