8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one

C23H22N2O2S — CID 67447601

IUPAC8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESCC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N1CCCC1
InChIInChI=1S/C23H22N2O2S/c1-14(25-11-2-3-12-25)15-4-6-16(7-5-15)20-19(26)9-8-18-21(20)17-10-13-28-22(17)23(27)24-18/h4-10,13-14,26H,2-3,11-12H2,1H3,(H,24,27)
InChIKeyPIECCKNCIBEOQW-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.27
Rot. Bonds3

About 8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one

8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447601) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447601
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESCC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N1CCCC1
InChIInChI=1S/C23H22N2O2S/c1-14(25-11-2-3-12-25)15-4-6-16(7-5-15)20-19(26)9-8-18-21(20)17-10-13-28-22(17)23(27)24-18/h4-10,13-14,26H,2-3,11-12H2,1H3,(H,24,27)
InChIKeyPIECCKNCIBEOQW-UHFFFAOYSA-N
XLogP5.27
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one with MolForge

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Related Compounds

Ots964
CID 67448186
(R)-9-(4-(1-aminopropan-2-yl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CID 67448836
(R)-9-(4-(1-Aminoethyl)phenyl)-8-hydroxy-6-methylthieno[2,3-c]quinolin-4(5H)-one
CID 68229183
OTS514 hydrochloride
CID 92044487
OTS964 hydrochloride
CID 89675898
(r)-9-(4-(1-(Dimethylamino)propan-2-yl)phenyl)-8-(2-fluoroethoxy)-6-methylthieno[2,3-c]quinolin-4(5h)-one
CID 134821510
9-[4-(aminomethyl)phenyl]-8-hydroxythieno[2,3-c]quinolin-4(5H)-one
CID 53386374
9-(3,4-difluorophenyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472537
Thieno[2,3-c]quinolin-4(5H)-one, 8-[(3S)-3-amino-1-pyrrolidinyl]-2-(4-hydroxyphenyl)-
CID 53472573
9-(3-fluoro-4-hydroxyphenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472576
9-(3,4-difluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472579
9-(4-fluoro-3-hydroxyphenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472619

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one (CID 67447601) is 8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one is CC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N1CCCC1.
What is the InChIKey of 8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is PIECCKNCIBEOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-14(25-11-2-3-12-25)15-4-6-16(7-5-15)20-19(26)9-8-18-21(20)17-10-13-28-22(17)23(27)24-18/h4-10,13-14,26H,2-3,11-12H2,1H3,(H,24,27).
What are the key properties of 8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 390.51 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).