10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C23H24ClN3O4 — CID 11640769

About 10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 11640769) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: 10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 11640769
• Molecular Formula: C23H24ClN3O4
• Molecular Weight: 441.92 g/mol
• Exact Mass: 441.15
• IUPAC Name: 10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CC1(C(=O)NCC2CCCO2)Cn2c(cc3occc32)C(=O)N1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C23H24ClN3O4/c1-23(22(29)25-12-17-3-2-9-30-17)14-26-18-8-10-31-20(18)11-19(26)21(28)27(23)13-15-4-6-16(24)7-5-15/h4-8,10-11,17H,2-3,9,12-14H2,1H3,(H,25,29)
• InChIKey: ZPQPYIISHWDSLV-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.92
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The IUPAC name of 10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 11640769) is 10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

What is the SMILES notation for 10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for 10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CC1(C(=O)NCC2CCCO2)Cn2c(cc3occc32)C(=O)N1Cc1ccc(Cl)cc1.

What is the InChIKey of 10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The InChIKey is ZPQPYIISHWDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-23(22(29)25-12-17-3-2-9-30-17)14-26-18-8-10-31-20(18)11-19(26)21(28)27(23)13-15-4-6-16(24)7-5-15/h4-8,10-11,17H,2-3,9,12-14H2,1H3,(H,25,29).

What are the key properties of 10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[(4-chlorophenyl)methyl]-11-methyl-9-oxo-N-(oxolan-2-ylmethyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 11640769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).