8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one

C13H16N2O3 — CID 84633023

IUPAC8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCN1C(=O)CC(CCN)c2cc3c(cc21)OCO3
InChIInChI=1S/C13H16N2O3/c1-15-10-6-12-11(17-7-18-12)5-9(10)8(2-3-14)4-13(15)16/h5-6,8H,2-4,7,14H2,1H3
InChIKeyWPMJCCOYFLFODZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.21
Rot. Bonds2

About 8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one

8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 84633023) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID84633023
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCN1C(=O)CC(CCN)c2cc3c(cc21)OCO3
InChIInChI=1S/C13H16N2O3/c1-15-10-6-12-11(17-7-18-12)5-9(10)8(2-3-14)4-13(15)16/h5-6,8H,2-4,7,14H2,1H3
InChIKeyWPMJCCOYFLFODZ-UHFFFAOYSA-N
XLogP1.21
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 84627659
7-chloro-1-methyl-4-[2-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 84634754
7,10-dimethyl-2,3,7,8-tetrahydro-[1,4]dioxino[2,3-h][1,5]benzoxazepin-9-one
CID 82232420
[5-(6-fluoro-1,3-benzodioxol-5-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117383851
2-(8-methyl-3,6,7,8-tetrahydro-2H-cyclopenta[g][1,4]benzodioxin-6-yl)ethanamine
CID 82082839
4-(5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaen-23-yl)butan-1-amine
CID 19034003
8-(2-aminoethyl)-6-bromo-4-methyl-1,4-benzoxazin-3-one
CID 82275405
2-[4-(6-methyl-1,3-benzodioxol-5-yl)piperidin-1-yl]ethanamine
CID 116962880
5-[2-(dimethylamino)ethyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157854
1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone
CID 67491052
7-ethyl-5-propyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157916
(8S)-8-(2-methylpropyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
CID 99987123

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 84633023) is 8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one is CN1C(=O)CC(CCN)c2cc3c(cc21)OCO3.
What is the InChIKey of 8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is WPMJCCOYFLFODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-10-6-12-11(17-7-18-12)5-9(10)8(2-3-14)4-13(15)16/h5-6,8H,2-4,7,14H2,1H3.
What are the key properties of 8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 248.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-5-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 84633023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).