4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one

C20H21NO5 — CID 50953624

IUPAC4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCCOCCOc1ccc2c(c1)NC(=O)CC2c1cccc2c1OCO2
InChIInChI=1S/C20H21NO5/c1-2-23-8-9-24-13-6-7-14-16(11-19(22)21-17(14)10-13)15-4-3-5-18-20(15)26-12-25-18/h3-7,10,16H,2,8-9,11-12H2,1H3,(H,21,22)
InChIKeyAHWNZNGDHKVPDR-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.30
Rot. Bonds6

About 4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one

4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 50953624) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID50953624
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESCCOCCOc1ccc2c(c1)NC(=O)CC2c1cccc2c1OCO2
InChIInChI=1S/C20H21NO5/c1-2-23-8-9-24-13-6-7-14-16(11-19(22)21-17(14)10-13)15-4-3-5-18-20(15)26-12-25-18/h3-7,10,16H,2,8-9,11-12H2,1H3,(H,21,22)
InChIKeyAHWNZNGDHKVPDR-UHFFFAOYSA-N
XLogP3.30
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-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

Related Compounds

N-[4-(1,3-benzodioxol-4-yl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]cyclopentanecarboxamide
CID 169419293
8-(4-butan-2-yloxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 17060554
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 50958678
(4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 95136942
(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 40645352
8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 169413926
(3E)-3-(1,3-benzodioxol-4-ylmethylidene)-6-ethoxy-1H-indol-2-one
CID 11587619
7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 169417340
3-(1,3-benzodioxol-4-ylmethylidene)-6-ethoxy-1H-indol-2-one
CID 73021011
(9S)-9-(4-propoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 7263181

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 50953624) is 4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one is CCOCCOc1ccc2c(c1)NC(=O)CC2c1cccc2c1OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AHWNZNGDHKVPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-2-23-8-9-24-13-6-7-14-16(11-19(22)21-17(14)10-13)15-4-3-5-18-20(15)26-12-25-18/h3-7,10,16H,2,8-9,11-12H2,1H3,(H,21,22).
What are the key properties of 4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one?
4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 355.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 50953624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).