8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C24H29N3O4 — CID 169413926

IUPAC8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCCN1CCN(CCOc2ccccc2C2CC(=O)Nc3cc4c(cc32)OCO4)CC1
InChIInChI=1S/C24H29N3O4/c1-2-26-7-9-27(10-8-26)11-12-29-21-6-4-3-5-17(21)18-14-24(28)25-20-15-23-22(13-19(18)20)30-16-31-23/h3-6,13,15,18H,2,7-12,14,16H2,1H3,(H,25,28)
InChIKeyBZWYPLCUHDMJDE-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.91
Rot. Bonds6

About 8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 169413926) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID169413926
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCCN1CCN(CCOc2ccccc2C2CC(=O)Nc3cc4c(cc32)OCO4)CC1
InChIInChI=1S/C24H29N3O4/c1-2-26-7-9-27(10-8-26)11-12-29-21-6-4-3-5-17(21)18-14-24(28)25-20-15-23-22(13-19(18)20)30-16-31-23/h3-6,13,15,18H,2,7-12,14,16H2,1H3,(H,25,28)
InChIKeyBZWYPLCUHDMJDE-UHFFFAOYSA-N
XLogP2.91
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-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

(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 40645352
(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169419742
8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50954568
(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one
CID 27521012
8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 171387375
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
8-(4-fluoro-2-hydroxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50948929
8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2973010
(9S)-9-[4-(dimethylamino)-2-ethoxyphenyl]-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 146334645

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 169413926) is 8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is CCN1CCN(CCOc2ccccc2C2CC(=O)Nc3cc4c(cc32)OCO4)CC1.
What is the InChIKey of 8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is BZWYPLCUHDMJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-2-26-7-9-27(10-8-26)11-12-29-21-6-4-3-5-17(21)18-14-24(28)25-20-15-23-22(13-19(18)20)30-16-31-23/h3-6,13,15,18H,2,7-12,14,16H2,1H3,(H,25,28).
What are the key properties of 8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 423.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 169413926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).