(9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one

C24H20N4O4 — CID 41029347

About (9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one

(9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one (PubChem CID 41029347) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is (9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one.

Molecular Properties

• Compound Name: (9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
• PubChem CID: 41029347
• Molecular Formula: C24H20N4O4
• Molecular Weight: 428.45 g/mol
• Exact Mass: 428.15
• IUPAC Name: (9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
• SMILES: COc1ccc(Cc2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@@H]4c2ccco2)cc1
• InChI: InChI=1S/C24H20N4O4/c1-30-15-9-7-14(8-10-15)12-19-26-23-22-21(17-6-3-11-31-17)20-16(29)4-2-5-18(20)32-24(22)25-13-28(23)27-19/h3,6-11,13,21H,2,4-5,12H2,1H3/t21-/m0/s1
• InChIKey: NUGOVBIDPLOYPS-NRFANRHFSA-N
• XLogP: 3.85
• TPSA: 91.75 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.45
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one?

The IUPAC name of (9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one (CID 41029347) is (9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one.

What is the SMILES notation for (9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one?

The canonical SMILES for (9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one is COc1ccc(Cc2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@@H]4c2ccco2)cc1.

What is the InChIKey of (9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one?

The InChIKey is NUGOVBIDPLOYPS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-30-15-9-7-14(8-10-15)12-19-26-23-22-21(17-6-3-11-31-17)20-16(29)4-2-5-18(20)32-24(22)25-13-28(23)27-19/h3,6-11,13,21H,2,4-5,12H2,1H3/t21-/m0/s1.

What are the key properties of (9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one?

(9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one has a molecular weight of 428.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (9R)-9-(furan-2-yl)-13-[(4-methoxyphenyl)methyl]-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one is sourced from PubChem (CID 41029347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).