N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

C17H18N2O2S — CID 5147248

IUPACN-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C17H18N2O2S/c1-10(2)7-8-18-17(21)14-9-12-15(22-14)11-5-3-4-6-13(11)19-16(12)20/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyWDTGFLYCTLALOS-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.52
Rot. Bonds4

About N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide

N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 5147248) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID5147248
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C17H18N2O2S/c1-10(2)7-8-18-17(21)14-9-12-15(22-14)11-5-3-4-6-13(11)19-16(12)20/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyWDTGFLYCTLALOS-UHFFFAOYSA-N
XLogP3.52
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 5147248) is N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is CC(C)CCNC(=O)c1cc2c(=O)[nH]c3ccccc3c2s1.
What is the InChIKey of N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is WDTGFLYCTLALOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-10(2)7-8-18-17(21)14-9-12-15(22-14)11-5-3-4-6-13(11)19-16(12)20/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5147248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).