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

C19H20ClN3O2 — CID 54128463

IUPAC2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)morpholine
SMILESClc1cccc(OCC2CN(Cc3ccnc4[nH]ccc34)CCO2)c1
InChIInChI=1S/C19H20ClN3O2/c20-15-2-1-3-16(10-15)25-13-17-12-23(8-9-24-17)11-14-4-6-21-19-18(14)5-7-22-19/h1-7,10,17H,8-9,11-13H2,(H,21,22)
InChIKeyNSPTVUQGGKGPGG-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.50
Rot. Bonds5

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

2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)morpholine (PubChem CID 54128463) 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-4-ylmethyl)morpholine.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)morpholine
PubChem CID54128463
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)morpholine
SMILESClc1cccc(OCC2CN(Cc3ccnc4[nH]ccc34)CCO2)c1
InChIInChI=1S/C19H20ClN3O2/c20-15-2-1-3-16(10-15)25-13-17-12-23(8-9-24-17)11-14-4-6-21-19-18(14)5-7-22-19/h1-7,10,17H,8-9,11-13H2,(H,21,22)
InChIKeyNSPTVUQGGKGPGG-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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Related Compounds

2-[(3-chlorophenoxy)methyl]-4-methanidylmorpholine
CID 123453200
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
4-benzyl-2-(1H-indol-4-yloxymethyl)morpholine
CID 154108772
(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
CID 66411236
3-[(4-ethylmorpholin-2-yl)methoxy]phenol
CID 79171875
2-(bromomethyl)-4-(quinolin-4-ylmethyl)morpholine
CID 81213273
[3-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166497
(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine
CID 99979834
6-[[2-(phenoxymethyl)morpholin-4-yl]methyl]pyridazin-3-amine
CID 136570310
(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 127028182

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)morpholine?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)morpholine (CID 54128463) is 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)morpholine.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)morpholine?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)morpholine is Clc1cccc(OCC2CN(Cc3ccnc4[nH]ccc34)CCO2)c1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)morpholine?
The InChIKey is NSPTVUQGGKGPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-15-2-1-3-16(10-15)25-13-17-12-23(8-9-24-17)11-14-4-6-21-19-18(14)5-7-22-19/h1-7,10,17H,8-9,11-13H2,(H,21,22).
What are the key properties of 2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)morpholine?
2-[(3-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-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-4-ylmethyl)morpholine is sourced from PubChem (CID 54128463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).