1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one

C20H19NO3 — CID 166439227

IUPAC1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one
SMILESO=c1c(C2COCCO2)cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H19NO3/c22-20-17(19-14-23-10-11-24-19)12-16-8-4-5-9-18(16)21(20)13-15-6-2-1-3-7-15/h1-9,12,19H,10-11,13-14H2
InChIKeyNAQLKVHBVDBLOB-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.14
Rot. Bonds3

About 1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one

1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one (PubChem CID 166439227) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one
PubChem CID166439227
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one
SMILESO=c1c(C2COCCO2)cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C20H19NO3/c22-20-17(19-14-23-10-11-24-19)12-16-8-4-5-9-18(16)21(20)13-15-6-2-1-3-7-15/h1-9,12,19H,10-11,13-14H2
InChIKeyNAQLKVHBVDBLOB-UHFFFAOYSA-N
XLogP3.14
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one?
The IUPAC name of 1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one (CID 166439227) is 1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one.
What is the SMILES notation for 1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one?
The canonical SMILES for 1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one is O=c1c(C2COCCO2)cc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one?
The InChIKey is NAQLKVHBVDBLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-20-17(19-14-23-10-11-24-19)12-16-8-4-5-9-18(16)21(20)13-15-6-2-1-3-7-15/h1-9,12,19H,10-11,13-14H2.
What are the key properties of 1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one?
1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one has a molecular weight of 321.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1,4-dioxan-2-yl)quinolin-2-one is sourced from PubChem (CID 166439227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).