7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C21H18ClNO3S — CID 16763235

IUPAC7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cc(C2CC(=O)Nc3ccsc32)ccc1OCc1ccccc1Cl
InChIInChI=1S/C21H18ClNO3S/c1-25-19-10-13(15-11-20(24)23-17-8-9-27-21(15)17)6-7-18(19)26-12-14-4-2-3-5-16(14)22/h2-10,15H,11-12H2,1H3,(H,23,24)
InChIKeyFXIZLQUMKIUDLF-UHFFFAOYSA-N
MW399.90 g/mol
LogP5.46
Rot. Bonds5

About 7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 16763235) has the molecular formula C21H18ClNO3S and a molecular weight of 399.90 g/mol. Its IUPAC name is 7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID16763235
Molecular FormulaC21H18ClNO3S
Molecular Weight399.90 g/mol
Exact Mass399.07
IUPAC Name7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cc(C2CC(=O)Nc3ccsc32)ccc1OCc1ccccc1Cl
InChIInChI=1S/C21H18ClNO3S/c1-25-19-10-13(15-11-20(24)23-17-8-9-27-21(15)17)6-7-18(19)26-12-14-4-2-3-5-16(14)22/h2-10,15H,11-12H2,1H3,(H,23,24)
InChIKeyFXIZLQUMKIUDLF-UHFFFAOYSA-N
XLogP5.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.90
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one with MolForge

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Related Compounds

3-(2-Methoxyphenyl)-7-[4-(prop-2-EN-1-yloxy)phenyl]-4H,5H,6H,7H-thieno[3,2-B]pyridin-5-one
CID 22587153
7-(3-methoxy-4-{[2-(trifluoromethyl)phenyl]methoxy}phenyl)-4H,5H,6H,7H-thieno[3,2-b]pyridin-5-one
CID 163216586
(7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556223
(7R)-7-[3-methoxy-2-(2-phenylethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556471
(7R)-7-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556483
(7R)-7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556489
(7R)-7-[4-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42558410
(7R)-7-(4-methoxy-3-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42578345
(7R)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42583116
(7R)-3-(4-chlorophenyl)sulfonyl-7-(3-ethoxy-4-propan-2-yloxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42583205
(7R)-7-(4-hydroxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42587592
(7R)-7-(3-methoxy-4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42587676

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 16763235) is 7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1cc(C2CC(=O)Nc3ccsc32)ccc1OCc1ccccc1Cl.
What is the InChIKey of 7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is FXIZLQUMKIUDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3S/c1-25-19-10-13(15-11-20(24)23-17-8-9-27-21(15)17)6-7-18(19)26-12-14-4-2-3-5-16(14)22/h2-10,15H,11-12H2,1H3,(H,23,24).
What are the key properties of 7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 399.90 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 16763235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).