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

C24H27N3O4 — CID 22274699

IUPACmorpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCOCC4)cc3c2)nc1)N1CCOCC1
InChIInChI=1S/C24H27N3O4/c28-24(27-9-13-30-14-10-27)19-1-3-22(25-17-19)18-2-4-23-20(15-18)16-21(31-23)5-6-26-7-11-29-12-8-26/h1-4,15-17H,5-14H2
InChIKeyYKVQQYCLIBHWNP-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.84
Rot. Bonds5

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

morpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone (PubChem CID 22274699) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is morpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
PubChem CID22274699
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Namemorpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCOCC4)cc3c2)nc1)N1CCOCC1
InChIInChI=1S/C24H27N3O4/c28-24(27-9-13-30-14-10-27)19-1-3-22(25-17-19)18-2-4-23-20(15-18)16-21(31-23)5-6-26-7-11-29-12-8-26/h1-4,15-17H,5-14H2
InChIKeyYKVQQYCLIBHWNP-UHFFFAOYSA-N
XLogP2.84
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone (CID 22274699) is morpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone is O=C(c1ccc(-c2ccc3oc(CCN4CCOCC4)cc3c2)nc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone?
The InChIKey is YKVQQYCLIBHWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c28-24(27-9-13-30-14-10-27)19-1-3-22(25-17-19)18-2-4-23-20(15-18)16-21(31-23)5-6-26-7-11-29-12-8-26/h1-4,15-17H,5-14H2.
What are the key properties of morpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone?
morpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone has a molecular weight of 421.50 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-[2-(2-morpholin-4-ylethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 22274699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).