2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol

C24H26FN3O6 — CID 146550997

IUPAC2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
SMILESCOc1ccc2ncc(F)c(C(O)CC3OCC(NCc4cc5c(cn4)OCCO5)CO3)c2c1
InChIInChI=1S/C24H26FN3O6/c1-30-16-2-3-19-17(7-16)24(18(25)10-28-19)20(29)8-23-33-12-15(13-34-23)26-9-14-6-21-22(11-27-14)32-5-4-31-21/h2-3,6-7,10-11,15,20,23,26,29H,4-5,8-9,12-13H2,1H3
InChIKeyLYHIOGOWOBGMBW-UHFFFAOYSA-N
MW471.49 g/mol
LogP2.50
Rot. Bonds7

About 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol

2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol (PubChem CID 146550997) has the molecular formula C24H26FN3O6 and a molecular weight of 471.49 g/mol. Its IUPAC name is 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol.

Molecular Properties

Compound Name2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
PubChem CID146550997
Molecular FormulaC24H26FN3O6
Molecular Weight471.49 g/mol
Exact Mass471.18
IUPAC Name2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
SMILESCOc1ccc2ncc(F)c(C(O)CC3OCC(NCc4cc5c(cn4)OCCO5)CO3)c2c1
InChIInChI=1S/C24H26FN3O6/c1-30-16-2-3-19-17(7-16)24(18(25)10-28-19)20(29)8-23-33-12-15(13-34-23)26-9-14-6-21-22(11-27-14)32-5-4-31-21/h2-3,6-7,10-11,15,20,23,26,29H,4-5,8-9,12-13H2,1H3
InChIKeyLYHIOGOWOBGMBW-UHFFFAOYSA-N
XLogP2.50
TPSA104.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol?
The IUPAC name of 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol (CID 146550997) is 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol.
What is the SMILES notation for 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol?
The canonical SMILES for 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol is COc1ccc2ncc(F)c(C(O)CC3OCC(NCc4cc5c(cn4)OCCO5)CO3)c2c1.
What is the InChIKey of 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol?
The InChIKey is LYHIOGOWOBGMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O6/c1-30-16-2-3-19-17(7-16)24(18(25)10-28-19)20(29)8-23-33-12-15(13-34-23)26-9-14-6-21-22(11-27-14)32-5-4-31-21/h2-3,6-7,10-11,15,20,23,26,29H,4-5,8-9,12-13H2,1H3.
What are the key properties of 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol?
2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol has a molecular weight of 471.49 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol is sourced from PubChem (CID 146550997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).