4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride

C26H33Cl2N3O2 — CID 44783870

IUPAC4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2[nH]c(-c3ccccc3)c(CN3CCOCC3)c2CN2CCOCC2)cc1
InChIInChI=1S/C26H31N3O2.2ClH/c1-3-7-21(8-4-1)25-23(19-28-11-15-30-16-12-28)24(20-29-13-17-31-18-14-29)26(27-25)22-9-5-2-6-10-22;;/h1-10,27H,11-20H2;2*1H
InChIKeyTUGWILXGIVDYLI-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.86
Rot. Bonds6

About 4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride

4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride (PubChem CID 44783870) has the molecular formula C26H33Cl2N3O2 and a molecular weight of 490.48 g/mol. Its IUPAC name is 4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride
PubChem CID44783870
Molecular FormulaC26H33Cl2N3O2
Molecular Weight490.48 g/mol
Exact Mass489.19
IUPAC Name4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2[nH]c(-c3ccccc3)c(CN3CCOCC3)c2CN2CCOCC2)cc1
InChIInChI=1S/C26H31N3O2.2ClH/c1-3-7-21(8-4-1)25-23(19-28-11-15-30-16-12-28)24(20-29-13-17-31-18-14-29)26(27-25)22-9-5-2-6-10-22;;/h1-10,27H,11-20H2;2*1H
InChIKeyTUGWILXGIVDYLI-UHFFFAOYSA-N
XLogP4.86
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride with MolForge

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Related Compounds

2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid
CID 144848835
2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
CID 59921053
4-[3-(morpholin-4-ylmethyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl]but-3-yn-1-ol
CID 155180369
4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]morpholine
CID 1480828
4-[(2-pyridin-3-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)methyl]morpholine
CID 46974222
3-(morpholin-4-ylmethyl)-2-phenylphenol
CID 174703576
10-(anthracen-9-ylmethyl)-1,4,7-trioxa-10-azacyclododecane
CID 101025185
4-[(5-bromo-2-phenylthiophen-3-yl)methyl]morpholine;hydrochloride
CID 163332514
4-[(5-phenyl-1,2-oxazol-4-yl)methyl]morpholine
CID 53015294
6-methyl-3-(morpholin-4-ylmethyl)-2-phenylchromen-4-one;hydrochloride
CID 16813410
4-[[2,3,5,6-tetrachloro-4-(morpholin-4-ylmethyl)phenyl]methyl]morpholine
CID 3043329
4-[(2-chloro-13-phenyl-12H-benzo[d][1,3,7]benzotriazonin-6-yl)methyl]morpholine
CID 3065255

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride?
The IUPAC name of 4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride (CID 44783870) is 4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride is Cl.Cl.c1ccc(-c2[nH]c(-c3ccccc3)c(CN3CCOCC3)c2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride?
The InChIKey is TUGWILXGIVDYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2.2ClH/c1-3-7-21(8-4-1)25-23(19-28-11-15-30-16-12-28)24(20-29-13-17-31-18-14-29)26(27-25)22-9-5-2-6-10-22;;/h1-10,27H,11-20H2;2*1H.
What are the key properties of 4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride?
4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride has a molecular weight of 490.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(morpholin-4-ylmethyl)-2,5-diphenyl-1H-pyrrol-3-yl]methyl]morpholine;dihydrochloride is sourced from PubChem (CID 44783870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).