N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine

C22H24FN3O3 — CID 58512248

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
SMILESCn1c2c(c3ccc(Nc4ccc5c(c4)OCCO5)nc31)CC(OCCF)CC2
InChIInChI=1S/C22H24FN3O3/c1-26-18-5-3-15(27-9-8-23)13-17(18)16-4-7-21(25-22(16)26)24-14-2-6-19-20(12-14)29-11-10-28-19/h2,4,6-7,12,15H,3,5,8-11,13H2,1H3,(H,24,25)
InChIKeyPTULWCKUEWIZFG-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.93
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine (PubChem CID 58512248) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
PubChem CID58512248
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
SMILESCn1c2c(c3ccc(Nc4ccc5c(c4)OCCO5)nc31)CC(OCCF)CC2
InChIInChI=1S/C22H24FN3O3/c1-26-18-5-3-15(27-9-8-23)13-17(18)16-4-7-21(25-22(16)26)24-14-2-6-19-20(12-14)29-11-10-28-19/h2,4,6-7,12,15H,3,5,8-11,13H2,1H3,(H,24,25)
InChIKeyPTULWCKUEWIZFG-UHFFFAOYSA-N
XLogP3.93
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine (CID 58512248) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine is Cn1c2c(c3ccc(Nc4ccc5c(c4)OCCO5)nc31)CC(OCCF)CC2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
The InChIKey is PTULWCKUEWIZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-26-18-5-3-15(27-9-8-23)13-17(18)16-4-7-21(25-22(16)26)24-14-2-6-19-20(12-14)29-11-10-28-19/h2,4,6-7,12,15H,3,5,8-11,13H2,1H3,(H,24,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine has a molecular weight of 397.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-fluoroethoxy)-9-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine is sourced from PubChem (CID 58512248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).