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

C20H16ClNO2S — CID 16764398

IUPAC7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1CC(c2ccc(OCc3cccc(Cl)c3)cc2)c2sccc2N1
InChIInChI=1S/C20H16ClNO2S/c21-15-3-1-2-13(10-15)12-24-16-6-4-14(5-7-16)17-11-19(23)22-18-8-9-25-20(17)18/h1-10,17H,11-12H2,(H,22,23)
InChIKeyOBLUJBZKEUFJEB-UHFFFAOYSA-N
MW369.87 g/mol
LogP5.45
Rot. Bonds4

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

7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 16764398) has the molecular formula C20H16ClNO2S and a molecular weight of 369.87 g/mol. Its IUPAC name is 7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID16764398
Molecular FormulaC20H16ClNO2S
Molecular Weight369.87 g/mol
Exact Mass369.06
IUPAC Name7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1CC(c2ccc(OCc3cccc(Cl)c3)cc2)c2sccc2N1
InChIInChI=1S/C20H16ClNO2S/c21-15-3-1-2-13(10-15)12-24-16-6-4-14(5-7-16)17-11-19(23)22-18-8-9-25-20(17)18/h1-10,17H,11-12H2,(H,22,23)
InChIKeyOBLUJBZKEUFJEB-UHFFFAOYSA-N
XLogP5.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(7R)-7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590848
(7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590850
(7S)-7-[4-[(3-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42590882
(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559305
(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559090
(7R)-7-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42583230
7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763604
7-(3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763371
3-[3-[4-[(3-chlorophenyl)methoxy]phenyl]sulfanylfuran-2-yl]pyrrolidine-2,5-dione
CID 160512892
2-amino-7-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42654149
6-[(3-chlorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 47420565
(7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42553733

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 16764398) is 7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1CC(c2ccc(OCc3cccc(Cl)c3)cc2)c2sccc2N1.
What is the InChIKey of 7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is OBLUJBZKEUFJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2S/c21-15-3-1-2-13(10-15)12-24-16-6-4-14(5-7-16)17-11-19(23)22-18-8-9-25-20(17)18/h1-10,17H,11-12H2,(H,22,23).
What are the key properties of 7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 369.87 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 16764398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).