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

C21H18ClNO3S — CID 16763366

IUPAC7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cccc(C2CC(=O)Nc3ccsc32)c1OCc1ccccc1Cl
InChIInChI=1S/C21H18ClNO3S/c1-25-18-8-4-6-14(15-11-19(24)23-17-9-10-27-21(15)17)20(18)26-12-13-5-2-3-7-16(13)22/h2-10,15H,11-12H2,1H3,(H,23,24)
InChIKeyRCBAKNAJPDQLRS-UHFFFAOYSA-N
MW399.90 g/mol
LogP5.46
Rot. Bonds5

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

7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 16763366) has the molecular formula C21H18ClNO3S and a molecular weight of 399.90 g/mol. Its IUPAC name is 7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID16763366
Molecular FormulaC21H18ClNO3S
Molecular Weight399.90 g/mol
Exact Mass399.07
IUPAC Name7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1cccc(C2CC(=O)Nc3ccsc32)c1OCc1ccccc1Cl
InChIInChI=1S/C21H18ClNO3S/c1-25-18-8-4-6-14(15-11-19(24)23-17-9-10-27-21(15)17)20(18)26-12-13-5-2-3-7-16(13)22/h2-10,15H,11-12H2,1H3,(H,23,24)
InChIKeyRCBAKNAJPDQLRS-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-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one with MolForge

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Related Compounds

7-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 16763364
(7S)-7-(2-cyclopentyloxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556465
7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50945296
(7S)-7-[2-[(4-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42558770
(7R)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42587083
(7R)-2-amino-7-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 42556477
(4R)-4-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 136910290
(7R)-7-(3-methoxy-2-phenylmethoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52899399
(7S)-7-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 95167204
(7S)-7-(5-bromo-2-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42556194
4-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135634021
(7S)-3-(benzenesulfonyl)-7-(2-ethoxy-3-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95061516

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 16763366) is 7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1cccc(C2CC(=O)Nc3ccsc32)c1OCc1ccccc1Cl.
What is the InChIKey of 7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is RCBAKNAJPDQLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3S/c1-25-18-8-4-6-14(15-11-19(24)23-17-9-10-27-21(15)17)20(18)26-12-13-5-2-3-7-16(13)22/h2-10,15H,11-12H2,1H3,(H,23,24).
What are the key properties of 7-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
7-[2-[(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-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 16763366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).