8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one

C29H28N2O5 — CID 160823930

IUPAC8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCCOc1ccc(CC(=O)Cn2c(=O)c(CNc3ccccc3)cc3cc4c(cc32)OCCO4)cc1
InChIInChI=1S/C29H28N2O5/c1-2-34-25-10-8-20(9-11-25)14-24(32)19-31-26-17-28-27(35-12-13-36-28)16-21(26)15-22(29(31)33)18-30-23-6-4-3-5-7-23/h3-11,15-17,30H,2,12-14,18-19H2,1H3
InChIKeySFXIOFUPGFEMLS-UHFFFAOYSA-N
MW484.55 g/mol
LogP4.60
Rot. Bonds9

About 8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one

8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 160823930) has the molecular formula C29H28N2O5 and a molecular weight of 484.55 g/mol. Its IUPAC name is 8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID160823930
Molecular FormulaC29H28N2O5
Molecular Weight484.55 g/mol
Exact Mass484.20
IUPAC Name8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCCOc1ccc(CC(=O)Cn2c(=O)c(CNc3ccccc3)cc3cc4c(cc32)OCCO4)cc1
InChIInChI=1S/C29H28N2O5/c1-2-34-25-10-8-20(9-11-25)14-24(32)19-31-26-17-28-27(35-12-13-36-28)16-21(26)15-22(29(31)33)18-30-23-6-4-3-5-7-23/h3-11,15-17,30H,2,12-14,18-19H2,1H3
InChIKeySFXIOFUPGFEMLS-UHFFFAOYSA-N
XLogP4.60
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-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 8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one (CID 160823930) is 8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one is CCOc1ccc(CC(=O)Cn2c(=O)c(CNc3ccccc3)cc3cc4c(cc32)OCCO4)cc1.
What is the InChIKey of 8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is SFXIOFUPGFEMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5/c1-2-34-25-10-8-20(9-11-25)14-24(32)19-31-26-17-28-27(35-12-13-36-28)16-21(26)15-22(29(31)33)18-30-23-6-4-3-5-7-23/h3-11,15-17,30H,2,12-14,18-19H2,1H3.
What are the key properties of 8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one?
8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 484.55 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(anilinomethyl)-6-[3-(4-ethoxyphenyl)-2-oxopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 160823930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).