4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine

C23H26N2O2 — CID 68999423

IUPAC4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
SMILESCCN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3occc3c2)C1
InChIInChI=1S/C23H26N2O2/c1-2-24-15-19-14-20(25-8-11-26-12-9-25)4-5-21(19)22(16-24)17-3-6-23-18(13-17)7-10-27-23/h3-7,10,13-14,22H,2,8-9,11-12,15-16H2,1H3
InChIKeyGMRQKCRMUYRRCI-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.24
Rot. Bonds3

About 4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine

4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine (PubChem CID 68999423) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
PubChem CID68999423
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
SMILESCCN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3occc3c2)C1
InChIInChI=1S/C23H26N2O2/c1-2-24-15-19-14-20(25-8-11-26-12-9-25)4-5-21(19)22(16-24)17-3-6-23-18(13-17)7-10-27-23/h3-7,10,13-14,22H,2,8-9,11-12,15-16H2,1H3
InChIKeyGMRQKCRMUYRRCI-UHFFFAOYSA-N
XLogP4.24
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(1H-indol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68993734
4-(1-benzofuran-6-yl)-2-ethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68996799
4-(1-benzofuran-5-yl)-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
CID 142757860
4-(4-indolizin-2-yl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
CID 68994860
4-[4-(1-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68994432
2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68996731
2-ethyl-7-fluoro-4-(1-methylindazol-5-yl)-3,4-dihydro-1H-isoquinoline
CID 68998549
6-[4-(1-benzofuran-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazine-3-carbonitrile
CID 68996936
4-(1-benzothiophen-6-yl)-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 68997491
4-[4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68995320
4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 68997755
4-(1-benzofuran-6-yl)-2-methyl-7-(6-methylpyrazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995735

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The IUPAC name of 4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine (CID 68999423) is 4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The canonical SMILES for 4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine is CCN1Cc2cc(N3CCOCC3)ccc2C(c2ccc3occc3c2)C1.
What is the InChIKey of 4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
The InChIKey is GMRQKCRMUYRRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-24-15-19-14-20(25-8-11-26-12-9-25)4-5-21(19)22(16-24)17-3-6-23-18(13-17)7-10-27-23/h3-7,10,13-14,22H,2,8-9,11-12,15-16H2,1H3.
What are the key properties of 4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine?
4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine has a molecular weight of 362.47 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzofuran-5-yl)-2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine is sourced from PubChem (CID 68999423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).