13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione

C23H21Cl2N3O5 — CID 90219211

IUPAC13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione
SMILESCOCC1Cn2c(-c3cccc(Cl)c3)c3c(=O)n(C)c(=O)n(C)c3c2C(c2ccc(Cl)o2)O1
InChIInChI=1S/C23H21Cl2N3O5/c1-26-19-17(22(29)27(2)23(26)30)18(12-5-4-6-13(24)9-12)28-10-14(11-31-3)32-21(20(19)28)15-7-8-16(25)33-15/h4-9,14,21H,10-11H2,1-3H3
InChIKeyLRRLJNXFJDBUES-UHFFFAOYSA-N
MW490.34 g/mol
LogP3.74
Rot. Bonds4

About 13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione

13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione (PubChem CID 90219211) has the molecular formula C23H21Cl2N3O5 and a molecular weight of 490.34 g/mol. Its IUPAC name is 13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione.

Molecular Properties

Compound Name13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione
PubChem CID90219211
Molecular FormulaC23H21Cl2N3O5
Molecular Weight490.34 g/mol
Exact Mass489.09
IUPAC Name13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione
SMILESCOCC1Cn2c(-c3cccc(Cl)c3)c3c(=O)n(C)c(=O)n(C)c3c2C(c2ccc(Cl)o2)O1
InChIInChI=1S/C23H21Cl2N3O5/c1-26-19-17(22(29)27(2)23(26)30)18(12-5-4-6-13(24)9-12)28-10-14(11-31-3)32-21(20(19)28)15-7-8-16(25)33-15/h4-9,14,21H,10-11H2,1-3H3
InChIKeyLRRLJNXFJDBUES-UHFFFAOYSA-N
XLogP3.74
TPSA80.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione?
The IUPAC name of 13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione (CID 90219211) is 13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione.
What is the SMILES notation for 13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione?
The canonical SMILES for 13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione is COCC1Cn2c(-c3cccc(Cl)c3)c3c(=O)n(C)c(=O)n(C)c3c2C(c2ccc(Cl)o2)O1.
What is the InChIKey of 13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione?
The InChIKey is LRRLJNXFJDBUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O5/c1-26-19-17(22(29)27(2)23(26)30)18(12-5-4-6-13(24)9-12)28-10-14(11-31-3)32-21(20(19)28)15-7-8-16(25)33-15/h4-9,14,21H,10-11H2,1-3H3.
What are the key properties of 13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione?
13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione has a molecular weight of 490.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(5-chlorofuran-2-yl)-8-(3-chlorophenyl)-11-(methoxymethyl)-3,5-dimethyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione is sourced from PubChem (CID 90219211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).