13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene

C31H41FN4O5 — CID 143377152

About 13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene

13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene (PubChem CID 143377152) has the molecular formula C31H41FN4O5 and a molecular weight of 568.69 g/mol. Its IUPAC name is 13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene.

Molecular Properties

• Compound Name: 13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene
• PubChem CID: 143377152
• Molecular Formula: C31H41FN4O5
• Molecular Weight: 568.69 g/mol
• Exact Mass: 568.31
• IUPAC Name: 13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene
• SMILES: CN1C(=O)C(C2CC2)NCC2CCc3cccc(c3O2)CCCNC(=O)CNC(=O)C1CO.Cc1ccc(F)cc1
• InChI: InChI=1S/C24H34N4O5.C7H7F/c1-28-19(14-29)23(31)27-13-20(30)25-11-3-6-16-4-2-5-17-9-10-18(33-22(16)17)12-26-21(24(28)32)15-7-8-15;1-6-2-4-7(8)5-3-6/h2,4-5,15,18-19,21,26,29H,3,6-14H2,1H3,(H,25,30)(H,27,31);2-5H,1H3
• InChIKey: RVRZANGTBWTFIR-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 120.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.69
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene?

The IUPAC name of 13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene (CID 143377152) is 13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene.

What is the SMILES notation for 13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene?

The canonical SMILES for 13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene is CN1C(=O)C(C2CC2)NCC2CCc3cccc(c3O2)CCCNC(=O)CNC(=O)C1CO.Cc1ccc(F)cc1.

What is the InChIKey of 13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene?

The InChIKey is RVRZANGTBWTFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5.C7H7F/c1-28-19(14-29)23(31)27-13-20(30)25-11-3-6-16-4-2-5-17-9-10-18(33-22(16)17)12-26-21(24(28)32)15-7-8-15;1-6-2-4-7(8)5-3-6/h2,4-5,15,18-19,21,26,29H,3,6-14H2,1H3,(H,25,30)(H,27,31);2-5H,1H3.

What are the key properties of 13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene?

13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene has a molecular weight of 568.69 g/mol, XLogP of 1.88, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 13-cyclopropyl-10-(hydroxymethyl)-11-methyl-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;1-fluoro-4-methylbenzene is sourced from PubChem (CID 143377152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).