3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one

C28H31N3O4 — CID 75227731

IUPAC3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
SMILESO=C1CCc2ccc(CC3CC4CCC(C3)N4CC3COc4c(ccc5c4CC(=O)N5)O3)cc2N1
InChIInChI=1S/C28H31N3O4/c32-26-8-3-18-2-1-16(12-24(18)30-26)9-17-10-19-4-5-20(11-17)31(19)14-21-15-34-28-22-13-27(33)29-23(22)6-7-25(28)35-21/h1-2,6-7,12,17,19-21H,3-5,8-11,13-15H2,(H,29,33)(H,30,32)
InChIKeyDZVJBZTUTCHLSB-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.69
Rot. Bonds4

About 3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one

3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one (PubChem CID 75227731) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one.

Molecular Properties

Compound Name3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
PubChem CID75227731
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
SMILESO=C1CCc2ccc(CC3CC4CCC(C3)N4CC3COc4c(ccc5c4CC(=O)N5)O3)cc2N1
InChIInChI=1S/C28H31N3O4/c32-26-8-3-18-2-1-16(12-24(18)30-26)9-17-10-19-4-5-20(11-17)31(19)14-21-15-34-28-22-13-27(33)29-23(22)6-7-25(28)35-21/h1-2,6-7,12,17,19-21H,3-5,8-11,13-15H2,(H,29,33)(H,30,32)
InChIKeyDZVJBZTUTCHLSB-UHFFFAOYSA-N
XLogP3.69
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-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

3-[[(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
CID 75116646
6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one
CID 11494132
6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82232043
2-[[(4-methylphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
CID 10426405
(2S)-2-(3-phenylpropyl)-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
CID 152841318
2-[[(4-fluorophenyl)methylamino]methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
CID 15372519
2-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetic acid
CID 59398387
5-(piperidin-4-ylmethyl)-1,3-dihydroindol-2-one
CID 82231323
5-[[4-(methylamino)cyclohexyl]methyl]-1,3-dihydroindol-2-one
CID 116926337
7-(isocyanatomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117290752
N-benzyl-1-[8-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 139802896
4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)butanoic acid
CID 117337941

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one?
The IUPAC name of 3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one (CID 75227731) is 3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one.
What is the SMILES notation for 3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one?
The canonical SMILES for 3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one is O=C1CCc2ccc(CC3CC4CCC(C3)N4CC3COc4c(ccc5c4CC(=O)N5)O3)cc2N1.
What is the InChIKey of 3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one?
The InChIKey is DZVJBZTUTCHLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c32-26-8-3-18-2-1-16(12-24(18)30-26)9-17-10-19-4-5-20(11-17)31(19)14-21-15-34-28-22-13-27(33)29-23(22)6-7-25(28)35-21/h1-2,6-7,12,17,19-21H,3-5,8-11,13-15H2,(H,29,33)(H,30,32).
What are the key properties of 3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one?
3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one has a molecular weight of 473.57 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one is sourced from PubChem (CID 75227731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).