7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline

C27H23NO2 — CID 153350819

IUPAC7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline
SMILESCCc1ccccc1OCc1cc(-c2ccc3ccnc(C)c3c2)c2occc2c1
InChIInChI=1S/C27H23NO2/c1-3-20-6-4-5-7-26(20)30-17-19-14-23-11-13-29-27(23)25(15-19)22-9-8-21-10-12-28-18(2)24(21)16-22/h4-16H,3,17H2,1-2H3
InChIKeyDVLLVDPRHDKYLQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP7.10
Rot. Bonds5

About 7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline

7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline (PubChem CID 153350819) has the molecular formula C27H23NO2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline.

Molecular Properties

Compound Name7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline
PubChem CID153350819
Molecular FormulaC27H23NO2
Molecular Weight393.49 g/mol
Exact Mass393.17
IUPAC Name7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline
SMILESCCc1ccccc1OCc1cc(-c2ccc3ccnc(C)c3c2)c2occc2c1
InChIInChI=1S/C27H23NO2/c1-3-20-6-4-5-7-26(20)30-17-19-14-23-11-13-29-27(23)25(15-19)22-9-8-21-10-12-28-18(2)24(21)16-22/h4-16H,3,17H2,1-2H3
InChIKeyDVLLVDPRHDKYLQ-UHFFFAOYSA-N
XLogP7.10
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[7-(1-aminoisoquinolin-7-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560902
ethyl 2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139560840
ethyl 2-[2-[[7-(2-ethylphenyl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 157458873
2-[2-[[7-[2-(1-amino-2-hydroxyethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560214
ethane;ethyl 2-[2-[[7-(5-propylthiophen-3-yl)-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 156724849
N-methyl-3-[5-[[2-(2H-tetrazol-5-ylmethyl)phenoxy]methyl]-1-benzofuran-7-yl]aniline
CID 175087456
2-[2-[[7-[2-(1-amino-2,2,2-trifluoroethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139559780
2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetic acid
CID 139561102
2-[2-[[7-[2-(aminomethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]-5-fluorophenyl]acetic acid
CID 139560417
ethyl 2-[2-[[7-[2-fluoro-3-(2-fluoroethyl)phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 170039597
methyl 2-[2-[[7-[3-(1-amino-2-methylpropyl)phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 156724643
[3-[5-[[2-(aminomethyl)-6-ethylphenoxy]methyl]-1-benzofuran-7-yl]phenyl]methanamine;formic acid
CID 156725019

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline?
The IUPAC name of 7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline (CID 153350819) is 7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline.
What is the SMILES notation for 7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline?
The canonical SMILES for 7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline is CCc1ccccc1OCc1cc(-c2ccc3ccnc(C)c3c2)c2occc2c1.
What is the InChIKey of 7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline?
The InChIKey is DVLLVDPRHDKYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2/c1-3-20-6-4-5-7-26(20)30-17-19-14-23-11-13-29-27(23)25(15-19)22-9-8-21-10-12-28-18(2)24(21)16-22/h4-16H,3,17H2,1-2H3.
What are the key properties of 7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline?
7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline has a molecular weight of 393.49 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(2-ethylphenoxy)methyl]-1-benzofuran-7-yl]-1-methylisoquinoline is sourced from PubChem (CID 153350819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).