2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine

C19H20ClN3O2 — CID 19964407

IUPAC2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine
SMILESClc1cccc(OCC2CN(Cc3c[nH]c4ncccc34)CCO2)c1
InChIInChI=1S/C19H20ClN3O2/c20-15-3-1-4-16(9-15)25-13-17-12-23(7-8-24-17)11-14-10-22-19-18(14)5-2-6-21-19/h1-6,9-10,17H,7-8,11-13H2,(H,21,22)
InChIKeyWKWAHNNDOYBVBJ-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.50
Rot. Bonds5

About 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine

2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine (PubChem CID 19964407) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine
PubChem CID19964407
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine
SMILESClc1cccc(OCC2CN(Cc3c[nH]c4ncccc34)CCO2)c1
InChIInChI=1S/C19H20ClN3O2/c20-15-3-1-4-16(9-15)25-13-17-12-23(7-8-24-17)11-14-10-22-19-18(14)5-2-6-21-19/h1-6,9-10,17H,7-8,11-13H2,(H,21,22)
InChIKeyWKWAHNNDOYBVBJ-UHFFFAOYSA-N
XLogP3.50
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine (CID 19964407) is 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine is Clc1cccc(OCC2CN(Cc3c[nH]c4ncccc34)CCO2)c1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine?
The InChIKey is WKWAHNNDOYBVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-15-3-1-4-16(9-15)25-13-17-12-23(7-8-24-17)11-14-10-22-19-18(14)5-2-6-21-19/h1-6,9-10,17H,7-8,11-13H2,(H,21,22).
What are the key properties of 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine?
2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine has a molecular weight of 357.84 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine is sourced from PubChem (CID 19964407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).