6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole

C21H18N2O — CID 123275947

IUPAC6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole
SMILESCCn1c2ccc(-c3ccc4c(c3)CCO4)cc2c2ccncc21
InChIInChI=1S/C21H18N2O/c1-2-23-19-5-3-15(12-18(19)17-7-9-22-13-20(17)23)14-4-6-21-16(11-14)8-10-24-21/h3-7,9,11-13H,2,8,10H2,1H3
InChIKeyZMRWMBPPAKCJEE-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.81
Rot. Bonds2

About 6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole

6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole (PubChem CID 123275947) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole
PubChem CID123275947
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole
SMILESCCn1c2ccc(-c3ccc4c(c3)CCO4)cc2c2ccncc21
InChIInChI=1S/C21H18N2O/c1-2-23-19-5-3-15(12-18(19)17-7-9-22-13-20(17)23)14-4-6-21-16(11-14)8-10-24-21/h3-7,9,11-13H,2,8,10H2,1H3
InChIKeyZMRWMBPPAKCJEE-UHFFFAOYSA-N
XLogP4.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-ethylpyrido[3,4-b]indol-6-yl)benzamide
CID 67511923
4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
CID 81287575
3-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrazine
CID 141418101
2-(2,3-dihydro-1-benzofuran-5-yl)-7-methylpurine
CID 157018415
2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91013706
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551
3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]pyridin-4-amine
CID 65447083
6-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpyridazin-3-amine
CID 104544803
9-ethyl-1,3,6-tripyridin-4-ylcarbazole
CID 141362770
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954973

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole (CID 123275947) is 6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole is CCn1c2ccc(-c3ccc4c(c3)CCO4)cc2c2ccncc21.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole?
The InChIKey is ZMRWMBPPAKCJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-2-23-19-5-3-15(12-18(19)17-7-9-22-13-20(17)23)14-4-6-21-16(11-14)8-10-24-21/h3-7,9,11-13H,2,8,10H2,1H3.
What are the key properties of 6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole?
6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole has a molecular weight of 314.39 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-5-yl)-9-ethylpyrido[3,4-b]indole is sourced from PubChem (CID 123275947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).