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

C20H17FN2O2S — CID 67447686

IUPAC9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCNCCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F
InChIInChI=1S/C20H17FN2O2S/c1-22-8-6-11-2-3-12(10-14(11)21)17-16(24)5-4-15-18(17)13-7-9-26-19(13)20(25)23-15/h2-5,7,9-10,22,24H,6,8H2,1H3,(H,23,25)
InChIKeyRSANRBFNJPKBJX-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.02
Rot. Bonds4

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

9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447686) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447686
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCNCCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F
InChIInChI=1S/C20H17FN2O2S/c1-22-8-6-11-2-3-12(10-14(11)21)17-16(24)5-4-15-18(17)13-7-9-26-19(13)20(25)23-15/h2-5,7,9-10,22,24H,6,8H2,1H3,(H,23,25)
InChIKeyRSANRBFNJPKBJX-UHFFFAOYSA-N
XLogP4.02
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-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
N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155550445
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

Frequently Asked Questions

What is the IUPAC name of 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 67447686) is 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is CNCCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F.
What is the InChIKey of 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is RSANRBFNJPKBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-22-8-6-11-2-3-12(10-14(11)21)17-16(24)5-4-15-18(17)13-7-9-26-19(13)20(25)23-15/h2-5,7,9-10,22,24H,6,8H2,1H3,(H,23,25).
What are the key properties of 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 368.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-fluoro-4-[2-(methylamino)ethyl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).