4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine

C35H35BrN6O2 — CID 157423894

IUPAC4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
SMILESBrc1cccc2c1CN=C2c1ccnc(N2CCOCC2)c1.Cc1cccc2c1CN=C2c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C18H19N3O.C17H16BrN3O/c1-13-3-2-4-15-16(13)12-20-18(15)14-5-6-19-17(11-14)21-7-9-22-10-8-21;18-15-3-1-2-13-14(15)11-20-17(13)12-4-5-19-16(10-12)21-6-8-22-9-7-21/h2-6,11H,7-10,12H2,1H3;1-5,10H,6-9,11H2
InChIKeyBPSSQGKGAYCOEB-UHFFFAOYSA-N
MW651.61 g/mol
LogP5.61
Rot. Bonds4

About 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine

4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine (PubChem CID 157423894) has the molecular formula C35H35BrN6O2 and a molecular weight of 651.61 g/mol. Its IUPAC name is 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
PubChem CID157423894
Molecular FormulaC35H35BrN6O2
Molecular Weight651.61 g/mol
Exact Mass650.20
IUPAC Name4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
SMILESBrc1cccc2c1CN=C2c1ccnc(N2CCOCC2)c1.Cc1cccc2c1CN=C2c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C18H19N3O.C17H16BrN3O/c1-13-3-2-4-15-16(13)12-20-18(15)14-5-6-19-17(11-14)21-7-9-22-10-8-21;18-15-3-1-2-13-14(15)11-20-17(13)12-4-5-19-16(10-12)21-6-8-22-9-7-21/h2-6,11H,7-10,12H2,1H3;1-5,10H,6-9,11H2
InChIKeyBPSSQGKGAYCOEB-UHFFFAOYSA-N
XLogP5.61
TPSA75.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.61
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-Bromoisoquinolin-1-yl)morpholine
CID 58228515
2-Amino-4-(3-bromophenyl)-5-(4-fluorophenyl)-6-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carbonitrile
CID 11386997
4-[4-[[4-(6-Bromo-13-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]oxymethyl]-2-pyridinyl]morpholine
CID 141851292
Methylidene-[3-(2-morpholin-4-yl-4-pyridinyl)-2,1lambda2-benzazastannol-5-yl]-lambda3-bromane
CID 144697688
4-[4-(5-Pyridin-3-yl-2,1lambda2-benzazastannol-3-yl)-2-pyridinyl]morpholine
CID 144697767
4-[4-(5-Pyridin-4-yl-2,1lambda2-benzazastannol-3-yl)-2-pyridinyl]morpholine
CID 144697887
4-[4-(5-Bromo-2,1lambda2-benzazastannol-3-yl)-2-pyridinyl]morpholine
CID 144697897
4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 147279170
4-[4-(7-Phenyl-5-pyridin-3-yl-9-pyridin-4-yldecan-2-yl)-2-pyridinyl]morpholine
CID 154973368
4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;bis(4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine)
CID 157153989
4-[4-(5-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153990
4-[4-(6-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;bis(4-[4-(6-pyridin-3-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine);3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 157599660

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine (CID 157423894) is 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine is Brc1cccc2c1CN=C2c1ccnc(N2CCOCC2)c1.Cc1cccc2c1CN=C2c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The InChIKey is BPSSQGKGAYCOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O.C17H16BrN3O/c1-13-3-2-4-15-16(13)12-20-18(15)14-5-6-19-17(11-14)21-7-9-22-10-8-21;18-15-3-1-2-13-14(15)11-20-17(13)12-4-5-19-16(10-12)21-6-8-22-9-7-21/h2-6,11H,7-10,12H2,1H3;1-5,10H,6-9,11H2.
What are the key properties of 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine has a molecular weight of 651.61 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 157423894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).