[4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone

C19H18N2O3S — CID 129160769

IUPAC[4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cccc3sc(C(=O)N4CCOCC4)cc23)cn1
InChIInChI=1S/C19H18N2O3S/c1-23-18-6-5-13(12-20-18)14-3-2-4-16-15(14)11-17(25-16)19(22)21-7-9-24-10-8-21/h2-6,11-12H,7-10H2,1H3
InChIKeyPJGDUKXNCLFKSB-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.44
Rot. Bonds3

About [4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone

[4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone (PubChem CID 129160769) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is [4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
PubChem CID129160769
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name[4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cccc3sc(C(=O)N4CCOCC4)cc23)cn1
InChIInChI=1S/C19H18N2O3S/c1-23-18-6-5-13(12-20-18)14-3-2-4-16-15(14)11-17(25-16)19(22)21-7-9-24-10-8-21/h2-6,11-12H,7-10H2,1H3
InChIKeyPJGDUKXNCLFKSB-UHFFFAOYSA-N
XLogP3.44
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone (CID 129160769) is [4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone is COc1ccc(-c2cccc3sc(C(=O)N4CCOCC4)cc23)cn1.
What is the InChIKey of [4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
The InChIKey is PJGDUKXNCLFKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-18-6-5-13(12-20-18)14-3-2-4-16-15(14)11-17(25-16)19(22)21-7-9-24-10-8-21/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
[4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone has a molecular weight of 354.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxy-3-pyridinyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 129160769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).