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

C18H20N2O2S — CID 6622467

IUPACN-butan-2-yl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1
InChIInChI=1S/C18H20N2O2S/c1-4-11(3)19-17(21)15-10-13-16(23-15)12-8-6-7-9-14(12)20(5-2)18(13)22/h6-11H,4-5H2,1-3H3,(H,19,21)
InChIKeyKFCAGKNPDHFBNV-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.76
Rot. Bonds4

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

N-butan-2-yl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 6622467) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-butan-2-yl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID6622467
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-butan-2-yl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCC(C)NC(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1
InChIInChI=1S/C18H20N2O2S/c1-4-11(3)19-17(21)15-10-13-16(23-15)12-8-6-7-9-14(12)20(5-2)18(13)22/h6-11H,4-5H2,1-3H3,(H,19,21)
InChIKeyKFCAGKNPDHFBNV-UHFFFAOYSA-N
XLogP3.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.76
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-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 6622467) is N-butan-2-yl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCC(C)NC(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1.
What is the InChIKey of N-butan-2-yl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is KFCAGKNPDHFBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-4-11(3)19-17(21)15-10-13-16(23-15)12-8-6-7-9-14(12)20(5-2)18(13)22/h6-11H,4-5H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
N-butan-2-yl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.76, 4 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-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).