8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C14H16N2O3 — CID 84638095

IUPAC8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCc1c(CCN)c(=O)[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C14H16N2O3/c1-8-9(2-3-15)14(17)16-11-7-13-12(6-10(8)11)18-4-5-19-13/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeyAEZXTXFDHSMHID-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.11
Rot. Bonds2

About 8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 84638095) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID84638095
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCc1c(CCN)c(=O)[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C14H16N2O3/c1-8-9(2-3-15)14(17)16-11-7-13-12(6-10(8)11)18-4-5-19-13/h6-7H,2-5,15H2,1H3,(H,16,17)
InChIKeyAEZXTXFDHSMHID-UHFFFAOYSA-N
XLogP1.11
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 84638095) is 8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is Cc1c(CCN)c(=O)[nH]c2cc3c(cc12)OCCO3.
What is the InChIKey of 8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is AEZXTXFDHSMHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-9(2-3-15)14(17)16-11-7-13-12(6-10(8)11)18-4-5-19-13/h6-7H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 260.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-9-methyl-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 84638095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).