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

C20H16ClNO2S — CID 42590850

IUPAC(7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2cccc(OCc3cccc(Cl)c3)c2)c2sccc2N1
InChIInChI=1S/C20H16ClNO2S/c21-15-5-1-3-13(9-15)12-24-16-6-2-4-14(10-16)17-11-19(23)22-18-7-8-25-20(17)18/h1-10,17H,11-12H2,(H,22,23)/t17-/m1/s1
InChIKeyFAGNKRMYFJXJBC-QGZVFWFLSA-N
MW369.87 g/mol
LogP5.45
Rot. Bonds4

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

(7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42590850) has the molecular formula C20H16ClNO2S and a molecular weight of 369.87 g/mol. Its IUPAC name is (7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42590850
Molecular FormulaC20H16ClNO2S
Molecular Weight369.87 g/mol
Exact Mass369.06
IUPAC Name(7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2cccc(OCc3cccc(Cl)c3)c2)c2sccc2N1
InChIInChI=1S/C20H16ClNO2S/c21-15-5-1-3-13(9-15)12-24-16-6-2-4-14(10-16)17-11-19(23)22-18-7-8-25-20(17)18/h1-10,17H,11-12H2,(H,22,23)/t17-/m1/s1
InChIKeyFAGNKRMYFJXJBC-QGZVFWFLSA-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

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42590850) is (7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@H](c2cccc(OCc3cccc(Cl)c3)c2)c2sccc2N1.
What is the InChIKey of (7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is FAGNKRMYFJXJBC-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H16ClNO2S/c21-15-5-1-3-13(9-15)12-24-16-6-2-4-14(10-16)17-11-19(23)22-18-7-8-25-20(17)18/h1-10,17H,11-12H2,(H,22,23)/t17-/m1/s1.
What are the key properties of (7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-[3-[(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 (7R)-7-[3-[(3-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42590850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).