9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one

C19H14ClFN2O2S — CID 67449966

IUPAC9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESNCCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1F
InChIInChI=1S/C19H14ClFN2O2S/c20-12-8-14(24)15(10-2-1-9(3-5-22)13(21)7-10)16-11-4-6-26-18(11)19(25)23-17(12)16/h1-2,4,6-8,24H,3,5,22H2,(H,23,25)
InChIKeyQMRFGMVXJHRSHA-UHFFFAOYSA-N
MW388.85 g/mol
LogP4.41
Rot. Bonds3

About 9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one

9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67449966) has the molecular formula C19H14ClFN2O2S and a molecular weight of 388.85 g/mol. Its IUPAC name is 9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67449966
Molecular FormulaC19H14ClFN2O2S
Molecular Weight388.85 g/mol
Exact Mass388.04
IUPAC Name9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
SMILESNCCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1F
InChIInChI=1S/C19H14ClFN2O2S/c20-12-8-14(24)15(10-2-1-9(3-5-22)13(21)7-10)16-11-4-6-26-18(11)19(25)23-17(12)16/h1-2,4,6-8,24H,3,5,22H2,(H,23,25)
InChIKeyQMRFGMVXJHRSHA-UHFFFAOYSA-N
XLogP4.41
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-(2-aminoethyl)-3-fluorophenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67448808
9-[4-(2-aminopropan-2-yl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 86689544
2-[4-(6-chloro-8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)-2-fluorophenyl]ethylcarbamic acid
CID 67449678
9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 86689478
9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 86689535
9-(4-chloro-3-fluorophenyl)-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 53472668
6-chloro-9-[4-[1-(diethylamino)propan-2-yl]phenyl]-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450201
9-[4-(aminomethyl)phenyl]-6-bromo-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447606
9-[4-(aminomethyl)phenyl]-8-hydroxy-6-iodo-5H-thieno[2,3-c]quinolin-4-one
CID 118242456
CID 163526212
CID 163526212
9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 123731582
9-[4-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67448754

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one (CID 67449966) is 9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is NCCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1F.
What is the InChIKey of 9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is QMRFGMVXJHRSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2S/c20-12-8-14(24)15(10-2-1-9(3-5-22)13(21)7-10)16-11-4-6-26-18(11)19(25)23-17(12)16/h1-2,4,6-8,24H,3,5,22H2,(H,23,25).
What are the key properties of 9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 388.85 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-aminoethyl)-3-fluorophenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67449966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).