4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine

C23H25ClN6O — CID 146296076

IUPAC4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine
SMILESCC(C)Cc1nnc2c3ncc(N4CCOCC4)cc3c(Cc3ccc(Cl)cc3)nn12
InChIInChI=1S/C23H25ClN6O/c1-15(2)11-21-26-27-23-22-19(13-18(14-25-22)29-7-9-31-10-8-29)20(28-30(21)23)12-16-3-5-17(24)6-4-16/h3-6,13-15H,7-12H2,1-2H3
InChIKeyBFZLNWBUPQQJEJ-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.95
Rot. Bonds5

About 4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine

4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine (PubChem CID 146296076) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine.

Molecular Properties

Compound Name4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine
PubChem CID146296076
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine
SMILESCC(C)Cc1nnc2c3ncc(N4CCOCC4)cc3c(Cc3ccc(Cl)cc3)nn12
InChIInChI=1S/C23H25ClN6O/c1-15(2)11-21-26-27-23-22-19(13-18(14-25-22)29-7-9-31-10-8-29)20(28-30(21)23)12-16-3-5-17(24)6-4-16/h3-6,13-15H,7-12H2,1-2H3
InChIKeyBFZLNWBUPQQJEJ-UHFFFAOYSA-N
XLogP3.95
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine with MolForge

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Related Compounds

4-[8-[(4-chlorophenyl)methyl]-5-[1-(oxan-4-yl)ethyl]-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine
CID 146301116
8-[(4-chlorophenyl)methyl]-5-[(2-methyl-3-pyridinyl)methyl]-11-morpholin-4-yl-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 146296052
8-[(4-chlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-11-morpholin-4-yl-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 146301113
8-[(4-methoxyphenyl)methyl]-4-(2-methylpropyl)-11-morpholin-4-yl-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 146301230
1-[(4-chlorophenyl)methyl]-4-(5-morpholin-4-yl-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 145311929
4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine
CID 648488
N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine
CID 171772733
3-methyl-6-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[3,4-a]phthalazine
CID 110170302
5-(2-methylpropyl)-2-morpholin-4-ylaniline
CID 18952283
2-chloro-5-morpholin-4-ylpyridin-3-amine
CID 59631039
2-methyl-3-[(1R)-1-[(8-methyl-3-morpholin-4-ylpyrido[2,3-d]pyridazin-5-yl)amino]ethyl]benzonitrile
CID 168954211
1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one
CID 69080548

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine?
The IUPAC name of 4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine (CID 146296076) is 4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine.
What is the SMILES notation for 4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine?
The canonical SMILES for 4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine is CC(C)Cc1nnc2c3ncc(N4CCOCC4)cc3c(Cc3ccc(Cl)cc3)nn12.
What is the InChIKey of 4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine?
The InChIKey is BFZLNWBUPQQJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-15(2)11-21-26-27-23-22-19(13-18(14-25-22)29-7-9-31-10-8-29)20(28-30(21)23)12-16-3-5-17(24)6-4-16/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of 4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine?
4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine has a molecular weight of 436.95 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine is sourced from PubChem (CID 146296076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).