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

C23H24N2O2S — CID 67447395

IUPAC9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCCN(CC)C(C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C23H24N2O2S/c1-4-25(5-2)14(3)15-6-8-16(9-7-15)20-19(26)11-10-18-21(20)17-12-13-28-22(17)23(27)24-18/h6-14,26H,4-5H2,1-3H3,(H,24,27)
InChIKeyYQTQZHBEICENTP-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.52
Rot. Bonds5

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

9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447395) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447395
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCCN(CC)C(C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1
InChIInChI=1S/C23H24N2O2S/c1-4-25(5-2)14(3)15-6-8-16(9-7-15)20-19(26)11-10-18-21(20)17-12-13-28-22(17)23(27)24-18/h6-14,26H,4-5H2,1-3H3,(H,24,27)
InChIKeyYQTQZHBEICENTP-UHFFFAOYSA-N
XLogP5.52
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
2-((dimethylamino)methyl)-9-hydroxythieno(2,3-c)isoquinolin-5(4H)-one
CID 44537943
N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155550445
OTS964 hydrochloride
CID 89675898
10-hydroxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
CID 118717513
(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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 67447395) is 9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is CCN(CC)C(C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1.
What is the InChIKey of 9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is YQTQZHBEICENTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-4-25(5-2)14(3)15-6-8-16(9-7-15)20-19(26)11-10-18-21(20)17-12-13-28-22(17)23(27)24-18/h6-14,26H,4-5H2,1-3H3,(H,24,27).
What are the key properties of 9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 392.52 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1-(diethylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).