8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one

C25H26N2O3S — CID 67447559

IUPAC8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C25H26N2O3S/c1-29-21-10-9-20-23(19-11-16-31-24(19)25(28)26-20)22(21)17-5-7-18(8-6-17)30-15-14-27-12-3-2-4-13-27/h5-11,16H,2-4,12-15H2,1H3,(H,26,28)
InChIKeyMTHCRNFWWVFGQD-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.28
Rot. Bonds6

About 8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one

8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67447559) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one
PubChem CID67447559
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one
SMILESCOc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C25H26N2O3S/c1-29-21-10-9-20-23(19-11-16-31-24(19)25(28)26-20)22(21)17-5-7-18(8-6-17)30-15-14-27-12-3-2-4-13-27/h5-11,16H,2-4,12-15H2,1H3,(H,26,28)
InChIKeyMTHCRNFWWVFGQD-UHFFFAOYSA-N
XLogP5.28
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-hydroxy-9-[4-(3-piperidin-1-ylpropyl)phenyl]-5H-thieno[2,3-c]quinolin-4-one
CID 158236634
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-(2-amino-2,3-dihydro-1H-inden-5-yl)-8-methoxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 118194228
9-[3-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 67450756
N-(3,3-dimethylbutyl)-4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)benzenesulfonamide
CID 67450016
tert-butyl N-[4-(8-methoxy-4-oxo-5H-thieno[2,3-c]quinolin-9-yl)phenyl]-N-(2-methylpropyl)carbamate
CID 67448637
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
9-[1-[1-(dimethylamino)propan-2-yl]pyrazol-3-yl]-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
CID 118194197
9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride
CID 42606713
1-[2-[4-(4-fluoro-3-methoxyphenyl)phenoxy]ethyl]pyrrolidine
CID 70094877
2-amino-6-oxo-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyridine-3,5-dicarboxylic acid
CID 169405670

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The IUPAC name of 8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one (CID 67447559) is 8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one.
What is the SMILES notation for 8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The canonical SMILES for 8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one is COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
The InChIKey is MTHCRNFWWVFGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-29-21-10-9-20-23(19-11-16-31-24(19)25(28)26-20)22(21)17-5-7-18(8-6-17)30-15-14-27-12-3-2-4-13-27/h5-11,16H,2-4,12-15H2,1H3,(H,26,28).
What are the key properties of 8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one?
8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 434.56 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67447559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).