4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine

C36H38N6O2 — CID 158527857

IUPAC4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
SMILESCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
InChIInChI=1S/2C18H19N3O/c2*1-13-2-3-15-12-20-18(16(15)10-13)14-4-5-19-17(11-14)21-6-8-22-9-7-21/h2*2-5,10-11H,6-9,12H2,1H3
InChIKeyHMZRNSHGFDOFRQ-UHFFFAOYSA-N
MW586.74 g/mol
LogP5.16
Rot. Bonds4

About 4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine

4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine (PubChem CID 158527857) has the molecular formula C36H38N6O2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
PubChem CID158527857
Molecular FormulaC36H38N6O2
Molecular Weight586.74 g/mol
Exact Mass586.31
IUPAC Name4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
SMILESCc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2
InChIInChI=1S/2C18H19N3O/c2*1-13-2-3-15-12-20-18(16(15)10-13)14-4-5-19-17(11-14)21-6-8-22-9-7-21/h2*2-5,10-11H,6-9,12H2,1H3
InChIKeyHMZRNSHGFDOFRQ-UHFFFAOYSA-N
XLogP5.16
TPSA75.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-(Quinuclidin-3-yl)pyridin-2-yl)morpholine
CID 45102789
4-[5-[(5-Methyl-3-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 137642735
4-Morpholin-4-yl-benzo[f]isoquinoline
CID 10825519
4-[5-(1-Methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-2-pyridinyl]morpholine iodide
CID 45486036
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-pyridin-3-ylpyrimidin-2-yl]morpholine
CID 155566588
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine
CID 71618006
4-(6-(Naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-yl)morpholine
CID 121317263
4-[4-(4-Methylphenyl)-6-pyridin-4-ylpyrimidin-2-yl]morpholine
CID 44390961
4-[4-(3,4-Dimethylphenyl)-6-pyridin-4-ylpyrimidin-2-yl]morpholine
CID 44390979
4-[3-(2-Morpholin-4-yl-5-propan-2-ylquinolin-7-yl)quinolin-2-yl]morpholine
CID 71449888
4-[1-[(1-Methylpiperidin-4-yl)methyl]-6-(3-morpholin-4-ylphenyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
CID 134805347
4-(5-Benzyl-6-morpholin-4-yl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 67035554

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine (CID 158527857) is 4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine is Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.Cc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.
What is the InChIKey of 4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
The InChIKey is HMZRNSHGFDOFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H19N3O/c2*1-13-2-3-15-12-20-18(16(15)10-13)14-4-5-19-17(11-14)21-6-8-22-9-7-21/h2*2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine?
4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine has a molecular weight of 586.74 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 158527857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).