morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone

C24H27N3O3 — CID 22274481

IUPACmorpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCCC4)cc3c2)nc1)N1CCOCC1
InChIInChI=1S/C24H27N3O3/c28-24(27-11-13-29-14-12-27)19-3-5-22(25-17-19)18-4-6-23-20(15-18)16-21(30-23)7-10-26-8-1-2-9-26/h3-6,15-17H,1-2,7-14H2
InChIKeyRRLCACGGDHPKNQ-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.61
Rot. Bonds5

About morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone

morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone (PubChem CID 22274481) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
PubChem CID22274481
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Namemorpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCCC4)cc3c2)nc1)N1CCOCC1
InChIInChI=1S/C24H27N3O3/c28-24(27-11-13-29-14-12-27)19-3-5-22(25-17-19)18-4-6-23-20(15-18)16-21(30-23)7-10-26-8-1-2-9-26/h3-6,15-17H,1-2,7-14H2
InChIKeyRRLCACGGDHPKNQ-UHFFFAOYSA-N
XLogP3.61
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone (CID 22274481) is morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone is O=C(c1ccc(-c2ccc3oc(CCN4CCCC4)cc3c2)nc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone?
The InChIKey is RRLCACGGDHPKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-24(27-11-13-29-14-12-27)19-3-5-22(25-17-19)18-4-6-23-20(15-18)16-21(30-23)7-10-26-8-1-2-9-26/h3-6,15-17H,1-2,7-14H2.
What are the key properties of morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone?
morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone has a molecular weight of 405.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 22274481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).