2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one

C19H19NO2 — CID 102055725

IUPAC2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one
SMILESCc1ccc(-c2ccc3c(n2)CCCC3=O)c2c1CC(C)O2
InChIInChI=1S/C19H19NO2/c1-11-6-7-14(19-15(11)10-12(2)22-19)17-9-8-13-16(20-17)4-3-5-18(13)21/h6-9,12H,3-5,10H2,1-2H3
InChIKeyWMSVLFPMYIHGTN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.90
Rot. Bonds1

About 2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one

2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one (PubChem CID 102055725) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one
PubChem CID102055725
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one
SMILESCc1ccc(-c2ccc3c(n2)CCCC3=O)c2c1CC(C)O2
InChIInChI=1S/C19H19NO2/c1-11-6-7-14(19-15(11)10-12(2)22-19)17-9-8-13-16(20-17)4-3-5-18(13)21/h6-9,12H,3-5,10H2,1-2H3
InChIKeyWMSVLFPMYIHGTN-UHFFFAOYSA-N
XLogP3.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one (CID 102055725) is 2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one is Cc1ccc(-c2ccc3c(n2)CCCC3=O)c2c1CC(C)O2.
What is the InChIKey of 2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is WMSVLFPMYIHGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-11-6-7-14(19-15(11)10-12(2)22-19)17-9-8-13-16(20-17)4-3-5-18(13)21/h6-9,12H,3-5,10H2,1-2H3.
What are the key properties of 2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one?
2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 293.37 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 102055725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).