9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

C23H24N2O2S — CID 67448833

IUPAC9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCCc1cc(OC)c(-c2ccc(CC(C)N)cc2)c2c1[nH]c(=O)c1sccc12
InChIInChI=1S/C23H24N2O2S/c1-4-15-12-18(27-3)19(16-7-5-14(6-8-16)11-13(2)24)20-17-9-10-28-22(17)23(26)25-21(15)20/h5-10,12-13H,4,11,24H2,1-3H3,(H,25,26)
InChIKeyPABPWOZITXQLAB-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.87
Rot. Bonds5

About 9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67448833) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67448833
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCCc1cc(OC)c(-c2ccc(CC(C)N)cc2)c2c1[nH]c(=O)c1sccc12
InChIInChI=1S/C23H24N2O2S/c1-4-15-12-18(27-3)19(16-7-5-14(6-8-16)11-13(2)24)20-17-9-10-28-22(17)23(26)25-21(15)20/h5-10,12-13H,4,11,24H2,1-3H3,(H,25,26)
InChIKeyPABPWOZITXQLAB-UHFFFAOYSA-N
XLogP4.87
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 163858078
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
9-(4-ethyl-3-fluorophenyl)-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 123731582
9-[4-[1-(1-aminoethyl)cyclopropyl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 118194110
9-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-6-bromo-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67447571
6-bromo-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 71244988
6-chloro-8-methoxy-9-[4-[2-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 71244953
9-[4-[1-(dimethylamino)-3-methylbutan-2-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67452462
9-[4-[3-(aminomethyl)pentan-3-yl]phenyl]-8-methoxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
CID 67449680
9-[4-(1-aminoethyl)phenyl]-8-hydroxy-6-(hydroxymethyl)-5H-thieno[2,3-c]quinolin-4-one
CID 67448029
tert-butyl-[1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]propan-2-yl]carbamic acid
CID 67459013

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 67448833) is 9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is CCc1cc(OC)c(-c2ccc(CC(C)N)cc2)c2c1[nH]c(=O)c1sccc12.
What is the InChIKey of 9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is PABPWOZITXQLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-4-15-12-18(27-3)19(16-7-5-14(6-8-16)11-13(2)24)20-17-9-10-28-22(17)23(26)25-21(15)20/h5-10,12-13H,4,11,24H2,1-3H3,(H,25,26).
What are the key properties of 9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 392.52 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-aminopropyl)phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67448833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).