2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one

C19H20N2O4 — CID 10382608

IUPAC2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
SMILESCOc1ccc(CNCC2COc3ccc4c(c3O2)CC(=O)N4)cc1
InChIInChI=1S/C19H20N2O4/c1-23-13-4-2-12(3-5-13)9-20-10-14-11-24-17-7-6-16-15(19(17)25-14)8-18(22)21-16/h2-7,14,20H,8-11H2,1H3,(H,21,22)
InChIKeyOCXMSKCYVMWMFI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.12
Rot. Bonds5

About 2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one

2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one (PubChem CID 10382608) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one.

Molecular Properties

Compound Name2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
PubChem CID10382608
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one
SMILESCOc1ccc(CNCC2COc3ccc4c(c3O2)CC(=O)N4)cc1
InChIInChI=1S/C19H20N2O4/c1-23-13-4-2-12(3-5-13)9-20-10-14-11-24-17-7-6-16-15(19(17)25-14)8-18(22)21-16/h2-7,14,20H,8-11H2,1H3,(H,21,22)
InChIKeyOCXMSKCYVMWMFI-UHFFFAOYSA-N
XLogP2.12
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one with MolForge

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Related Compounds

4-(2-Benzylamino-ethoxy)-1,3-dihydro-indol-2-one
CID 9903877
Aplindore
CID 158784
2-[(benzylamino)methyl]-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
CID 9883070
4-[2-(4-Phenyl-butylamino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10520031
4-[2-(Benzyl-methyl-amino)-ethoxy]-1,3-dihydro-indol-2-one
CID 10661630
4-(2-Benzylamino-ethoxy)-7-fluoro-1,3-dihydro-indol-2-one
CID 10732973
9-(2-methoxyphenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2943604
Aplindore Fumarate
CID 6440763
8-(2-ethoxyphenyl)-7,8-dihydro-(1,3)dioxolo(4,5-g)quinolin-6(5H)-one
CID 656346
(R)-2-(Benzylamino-methyl)-3,4,7,9-tetrahydro-2H-pyrano[2,3-e]indol-8-one
CID 10063875
(3R)-3-((3-((2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)methyl)-8-azabicyclo[3.2.1]octan-8-yl)methyl)-7,9-dihydro-2H-[1,4]dioxino[2,3-e]indol-8(3H)-one
CID 46889014
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(6-methoxy-2,3-dihydro-1H-indol-7-yl)oxy]ethanamine;dihydrochloride
CID 71817548

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one?
The IUPAC name of 2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one (CID 10382608) is 2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one.
What is the SMILES notation for 2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one?
The canonical SMILES for 2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one is COc1ccc(CNCC2COc3ccc4c(c3O2)CC(=O)N4)cc1.
What is the InChIKey of 2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one?
The InChIKey is OCXMSKCYVMWMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-13-4-2-12(3-5-13)9-20-10-14-11-24-17-7-6-16-15(19(17)25-14)8-18(22)21-16/h2-7,14,20H,8-11H2,1H3,(H,21,22).
What are the key properties of 2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one?
2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one has a molecular weight of 340.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxyphenyl)methylamino]methyl]-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-8-one is sourced from PubChem (CID 10382608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).