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

C25H26N2O2S — CID 67449221

IUPAC9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCC2CCCC2N)cc1
InChIInChI=1S/C25H26N2O2S/c1-29-21-12-11-20-23(18-13-14-30-24(18)25(28)27-20)22(21)17-9-6-15(7-10-17)5-8-16-3-2-4-19(16)26/h6-7,9-14,16,19H,2-5,8,26H2,1H3,(H,27,28)
InChIKeyBULSAFMFVIALHB-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.48
Rot. Bonds5

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

9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67449221) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is 9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67449221
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC Name9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCC2CCCC2N)cc1
InChIInChI=1S/C25H26N2O2S/c1-29-21-12-11-20-23(18-13-14-30-24(18)25(28)27-20)22(21)17-9-6-15(7-10-17)5-8-16-3-2-4-19(16)26/h6-7,9-14,16,19H,2-5,8,26H2,1H3,(H,27,28)
InChIKeyBULSAFMFVIALHB-UHFFFAOYSA-N
XLogP5.48
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[2-(cyclopentylamino)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67446791
9-[4-[2-(dimethylamino)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67448089
9-[4-(ethylaminomethyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450179
9-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118194228
1-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]ethanesulfonamide
CID 67450131
8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 67447559
9-[4-(1-aminobutyl)phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 163590116
8-methoxy-9-[4-[1-(methylamino)ethyl]phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 67447737
9-[4-[hydroxy(1,3-thiazol-2-yl)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67449091
9-(4-cyclohexylbutyl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 160583228
9-[1-(2-aminoethyl)pyrazol-4-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450011
N-(3,3-dimethylbutyl)-4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)benzenesulfonamide
CID 67450016

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 67449221) is 9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCC2CCCC2N)cc1.
What is the InChIKey of 9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is BULSAFMFVIALHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-29-21-12-11-20-23(18-13-14-30-24(18)25(28)27-20)22(21)17-9-6-15(7-10-17)5-8-16-3-2-4-19(16)26/h6-7,9-14,16,19H,2-5,8,26H2,1H3,(H,27,28).
What are the key properties of 9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?
9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 418.56 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(2-aminocyclopentyl)ethyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67449221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).