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

C34H32Br2N6O2 — CID 158354094

IUPAC4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine
SMILESBrc1cccc2c1CN=C2c1ccnc(N2CCOCC2)c1.Brc1cccc2c1CN=C2c1ccnc(N2CCOCC2)c1
InChIInChI=1S/2C17H16BrN3O/c2*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*1-5,10H,6-9,11H2
InChIKeyGSRAJGQAXKDPQE-UHFFFAOYSA-N
MW716.48 g/mol
LogP6.06
Rot. Bonds4

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

4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine (PubChem CID 158354094) has the molecular formula C34H32Br2N6O2 and a molecular weight of 716.48 g/mol. Its IUPAC name is 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine
PubChem CID158354094
Molecular FormulaC34H32Br2N6O2
Molecular Weight716.48 g/mol
Exact Mass714.10
IUPAC Name4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine
SMILESBrc1cccc2c1CN=C2c1ccnc(N2CCOCC2)c1.Brc1cccc2c1CN=C2c1ccnc(N2CCOCC2)c1
InChIInChI=1S/2C17H16BrN3O/c2*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*1-5,10H,6-9,11H2
InChIKeyGSRAJGQAXKDPQE-UHFFFAOYSA-N
XLogP6.06
TPSA75.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.48
LogP ≤ 56.06
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-bromo-2-(2-morpholin-4-ylpyridine-4-carboximidoyl)-N-tritylaniline
CID 132194013
4-(8-Bromoisoquinolin-3-yl)morpholine
CID 139530418
Methylidene-[3-(2-morpholin-4-yl-4-pyridinyl)-2,1lambda2-benzazastannol-5-yl]-lambda3-bromane
CID 144697688
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-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(4-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157423894
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?
The IUPAC name of 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine (CID 158354094) is 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine is Brc1cccc2c1CN=C2c1ccnc(N2CCOCC2)c1.Brc1cccc2c1CN=C2c1ccnc(N2CCOCC2)c1.
What is the InChIKey of 4-[4-(4-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The InChIKey is GSRAJGQAXKDPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16BrN3O/c2*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*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-bromo-3H-isoindol-1-yl)-2-pyridinyl]morpholine has a molecular weight of 716.48 g/mol, XLogP of 6.06, 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 is sourced from PubChem (CID 158354094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).