9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

C23H21NO2S — CID 149208138

IUPAC9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCc1cc(O)c(-c2ccc(C3CCCC3)cc2)c2c1[nH]c(=O)c1sccc12
InChIInChI=1S/C23H21NO2S/c1-13-12-18(25)19(16-8-6-15(7-9-16)14-4-2-3-5-14)20-17-10-11-27-22(17)23(26)24-21(13)20/h6-12,14,25H,2-5H2,1H3,(H,24,26)
InChIKeyXGAKMHCUVTZFNR-UHFFFAOYSA-N
MW375.49 g/mol
LogP6.08
Rot. Bonds2

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

9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 149208138) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is 9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
PubChem CID149208138
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
SMILESCc1cc(O)c(-c2ccc(C3CCCC3)cc2)c2c1[nH]c(=O)c1sccc12
InChIInChI=1S/C23H21NO2S/c1-13-12-18(25)19(16-8-6-15(7-9-16)14-4-2-3-5-14)20-17-10-11-27-22(17)23(26)24-21(13)20/h6-12,14,25H,2-5H2,1H3,(H,24,26)
InChIKeyXGAKMHCUVTZFNR-UHFFFAOYSA-N
XLogP6.08
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(1-aminoethyl)phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67446610
9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234948
9-[4-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67448754
9-[3-fluoro-4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 123187665
9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67450341
9-[4-(2-aminopropan-2-yl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 86689544
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-6-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 67448029
9-[4-(2-aminopropyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 86689535
9-[4-(1-aminopropyl)phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67447177
CID 163526212
CID 163526212
9-[4-[3-(aminomethyl)pentan-3-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67449680
9-[4-[(2R)-1-aminopropan-2-yl]phenyl]-2-fluoro-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118234953

Frequently Asked Questions

What is the IUPAC name of 9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (CID 149208138) is 9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is Cc1cc(O)c(-c2ccc(C3CCCC3)cc2)c2c1[nH]c(=O)c1sccc12.
What is the InChIKey of 9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is XGAKMHCUVTZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-13-12-18(25)19(16-8-6-15(7-9-16)14-4-2-3-5-14)20-17-10-11-27-22(17)23(26)24-21(13)20/h6-12,14,25H,2-5H2,1H3,(H,24,26).
What are the key properties of 9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?
9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 375.49 g/mol, XLogP of 6.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-cyclopentylphenyl)-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 149208138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).