3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol

C18H19NO2 — CID 82958957

IUPAC3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1ccc2c(c1)CCCN2C1COc2cc(O)ccc21
InChIInChI=1S/C18H19NO2/c1-12-4-7-16-13(9-12)3-2-8-19(16)17-11-21-18-10-14(20)5-6-15(17)18/h4-7,9-10,17,20H,2-3,8,11H2,1H3
InChIKeyIMTRWVQINXZJKJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.59
Rot. Bonds1

About 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol

3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 82958957) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID82958957
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1ccc2c(c1)CCCN2C1COc2cc(O)ccc21
InChIInChI=1S/C18H19NO2/c1-12-4-7-16-13(9-12)3-2-8-19(16)17-11-21-18-10-14(20)5-6-15(17)18/h4-7,9-10,17,20H,2-3,8,11H2,1H3
InChIKeyIMTRWVQINXZJKJ-UHFFFAOYSA-N
XLogP3.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol (CID 82958957) is 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol is Cc1ccc2c(c1)CCCN2C1COc2cc(O)ccc21.
What is the InChIKey of 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is IMTRWVQINXZJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-4-7-16-13(9-12)3-2-8-19(16)17-11-21-18-10-14(20)5-6-15(17)18/h4-7,9-10,17,20H,2-3,8,11H2,1H3.
What are the key properties of 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol?
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 281.36 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 82958957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).