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

C23H22N4O2S2 — CID 166329528

IUPACN-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCCc1cnc(SC2CCCC2)nc1)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C23H22N4O2S2/c28-21-17-11-19(31-20(17)16-7-3-4-8-18(16)27-21)22(29)24-10-9-14-12-25-23(26-13-14)30-15-5-1-2-6-15/h3-4,7-8,11-13,15H,1-2,5-6,9-10H2,(H,24,29)(H,27,28)
InChIKeyLWCDWJUTXLBMPU-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.54
Rot. Bonds6

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

N-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 166329528) has the molecular formula C23H22N4O2S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
PubChem CID166329528
Molecular FormulaC23H22N4O2S2
Molecular Weight450.59 g/mol
Exact Mass450.12
IUPAC NameN-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCCc1cnc(SC2CCCC2)nc1)c1cc2c(=O)[nH]c3ccccc3c2s1
InChIInChI=1S/C23H22N4O2S2/c28-21-17-11-19(31-20(17)16-7-3-4-8-18(16)27-21)22(29)24-10-9-14-12-25-23(26-13-14)30-15-5-1-2-6-15/h3-4,7-8,11-13,15H,1-2,5-6,9-10H2,(H,24,29)(H,27,28)
InChIKeyLWCDWJUTXLBMPU-UHFFFAOYSA-N
XLogP4.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-8-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 3562806
8-methyl-4-oxo-N-(pyridin-3-ylmethyl)-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879934
N-(4-fluorophenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 4187106
4-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethylcarbamoylamino]butanoic acid
CID 122015584
N-methoxy-N-methyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 90704825
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20855973
N-(2,5-dimethoxyphenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20855954
N-cyclopentylthieno[3,2-b][1]benzothiole-2-carboxamide
CID 24502669
4-chloro-N-cyclopentylthieno[3,2-c]quinoline-2-carboxamide
CID 6622571
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
N-(2-phenylethyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45178110
N-[2-(3,4-diethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54740507

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide (CID 166329528) is N-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is O=C(NCCc1cnc(SC2CCCC2)nc1)c1cc2c(=O)[nH]c3ccccc3c2s1.
What is the InChIKey of N-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is LWCDWJUTXLBMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S2/c28-21-17-11-19(31-20(17)16-7-3-4-8-18(16)27-21)22(29)24-10-9-14-12-25-23(26-13-14)30-15-5-1-2-6-15/h3-4,7-8,11-13,15H,1-2,5-6,9-10H2,(H,24,29)(H,27,28).
What are the key properties of N-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide?
N-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethyl]-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 166329528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).