2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one

C27H26N2O3 — CID 2152001

IUPAC2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2cccc(OCC(=O)N3CCCc4ccccc43)c2CCN1Cc1ccccc1
InChIInChI=1S/C27H26N2O3/c30-26(29-16-7-11-21-10-4-5-13-24(21)29)19-32-25-14-6-12-23-22(25)15-17-28(27(23)31)18-20-8-2-1-3-9-20/h1-6,8-10,12-14H,7,11,15-19H2
InChIKeySUFDVSLAEGBRCU-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.24
Rot. Bonds5

About 2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one

2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one (PubChem CID 2152001) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one
PubChem CID2152001
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2cccc(OCC(=O)N3CCCc4ccccc43)c2CCN1Cc1ccccc1
InChIInChI=1S/C27H26N2O3/c30-26(29-16-7-11-21-10-4-5-13-24(21)29)19-32-25-14-6-12-23-22(25)15-17-28(27(23)31)18-20-8-2-1-3-9-20/h1-6,8-10,12-14H,7,11,15-19H2
InChIKeySUFDVSLAEGBRCU-UHFFFAOYSA-N
XLogP4.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one (CID 2152001) is 2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one is O=C1c2cccc(OCC(=O)N3CCCc4ccccc43)c2CCN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one?
The InChIKey is SUFDVSLAEGBRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c30-26(29-16-7-11-21-10-4-5-13-24(21)29)19-32-25-14-6-12-23-22(25)15-17-28(27(23)31)18-20-8-2-1-3-9-20/h1-6,8-10,12-14H,7,11,15-19H2.
What are the key properties of 2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one?
2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one has a molecular weight of 426.52 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2152001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).