1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one

C23H23ClN6O2 — CID 69080548

IUPAC1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one
SMILESCCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3ccc(N4CCOCC4)nc3)nc21
InChIInChI=1S/C23H23ClN6O2/c1-2-28-15-26-21-22(28)27-20(30(23(21)31)18-6-4-17(24)5-7-18)13-16-3-8-19(25-14-16)29-9-11-32-12-10-29/h3-8,14-15H,2,9-13H2,1H3
InChIKeyKOXGROFMZWNCIY-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one

1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one (PubChem CID 69080548) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one
PubChem CID69080548
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one
SMILESCCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3ccc(N4CCOCC4)nc3)nc21
InChIInChI=1S/C23H23ClN6O2/c1-2-28-15-26-21-22(28)27-20(30(23(21)31)18-6-4-17(24)5-7-18)13-16-3-8-19(25-14-16)29-9-11-32-12-10-29/h3-8,14-15H,2,9-13H2,1H3
InChIKeyKOXGROFMZWNCIY-UHFFFAOYSA-N
XLogP3.08
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one with MolForge

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Related Compounds

1-(4-chlorophenyl)-9-ethyl-2-(4,4,4-trifluoro-3-methylbutyl)purin-6-one
CID 24891515
1-(4-chlorophenyl)-9-ethyl-2-(4-methylcyclohexyl)purin-6-one
CID 69078207
1-(4-chlorophenyl)-9-ethyl-2-(1-phenylethyl)purin-6-one
CID 69075737
1-(4-chlorophenyl)-2-[(2,6-difluorophenyl)-fluoromethyl]-9-ethylpurin-6-one
CID 69075988
2-[(2-chloro-3,6-difluorophenyl)methyl]-1-(4-chlorophenyl)-9-methylpurin-6-one
CID 69078608
1-(4-chlorophenyl)-9-(2,2-difluoroethyl)-2-(4,4,4-trifluoro-3-methylbutyl)purin-6-one
CID 24891468
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
1-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]-9-propylpurin-6-one
CID 11329097
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
2-(6-morpholin-4-yl-3-pyridinyl)ethanamine
CID 58882085
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
1-(4-chlorophenyl)-9-methyl-2-(3-methylbutyl)purin-6-one
CID 69080388

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one?
The IUPAC name of 1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one (CID 69080548) is 1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one.
What is the SMILES notation for 1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one?
The canonical SMILES for 1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one is CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3ccc(N4CCOCC4)nc3)nc21.
What is the InChIKey of 1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one?
The InChIKey is KOXGROFMZWNCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-2-28-15-26-21-22(28)27-20(30(23(21)31)18-6-4-17(24)5-7-18)13-16-3-8-19(25-14-16)29-9-11-32-12-10-29/h3-8,14-15H,2,9-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one?
1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one has a molecular weight of 450.93 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-9-ethyl-2-[(6-morpholin-4-yl-3-pyridinyl)methyl]purin-6-one is sourced from PubChem (CID 69080548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).