1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine

C14H16N2O2 — CID 82244039

IUPAC1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine
SMILESCC(N)Cc1ccc2cc3c(cc2n1)OCCO3
InChIInChI=1S/C14H16N2O2/c1-9(15)6-11-3-2-10-7-13-14(8-12(10)16-11)18-5-4-17-13/h2-3,7-9H,4-6,15H2,1H3
InChIKeyVOXWATIGLWRCNJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.90
Rot. Bonds2

About 1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine

1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine (PubChem CID 82244039) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine
PubChem CID82244039
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine
SMILESCC(N)Cc1ccc2cc3c(cc2n1)OCCO3
InChIInChI=1S/C14H16N2O2/c1-9(15)6-11-3-2-10-7-13-14(8-12(10)16-11)18-5-4-17-13/h2-3,7-9H,4-6,15H2,1H3
InChIKeyVOXWATIGLWRCNJ-UHFFFAOYSA-N
XLogP1.90
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine?
The IUPAC name of 1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine (CID 82244039) is 1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine is CC(N)Cc1ccc2cc3c(cc2n1)OCCO3.
What is the InChIKey of 1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine?
The InChIKey is VOXWATIGLWRCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(15)6-11-3-2-10-7-13-14(8-12(10)16-11)18-5-4-17-13/h2-3,7-9H,4-6,15H2,1H3.
What are the key properties of 1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine?
1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine has a molecular weight of 244.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)propan-2-amine is sourced from PubChem (CID 82244039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).