5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C33H30N3O7- — CID 163124305

About 5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 163124305) has the molecular formula C33H30N3O7- and a molecular weight of 580.62 g/mol. Its IUPAC name is 5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: 5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 163124305
• Molecular Formula: C33H30N3O7-
• Molecular Weight: 580.62 g/mol
• Exact Mass: 580.21
• IUPAC Name: 5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: Cc1oc2c(C)c3oc(=O)c(CC(=O)N4CC5CC(C4)c4ccc(N([O-])O)c(=O)n4C5)c(C)c3cc2c1-c1ccccc1
• InChI: InChI=1S/C33H30N3O7/c1-17-23-12-25-29(21-7-5-4-6-8-21)19(3)42-31(25)18(2)30(23)43-33(39)24(17)13-28(37)34-14-20-11-22(16-34)26-9-10-27(36(40)41)32(38)35(26)15-20/h4-10,12,20,22,40H,11,13-16H2,1-3H3/q-1
• InChIKey: NWCVKZCGUCOYCI-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 132.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.62
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of 5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 163124305) is 5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for 5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for 5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is Cc1oc2c(C)c3oc(=O)c(CC(=O)N4CC5CC(C4)c4ccc(N([O-])O)c(=O)n4C5)c(C)c3cc2c1-c1ccccc1.

What is the InChIKey of 5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is NWCVKZCGUCOYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N3O7/c1-17-23-12-25-29(21-7-5-4-6-8-21)19(3)42-31(25)18(2)30(23)43-33(39)24(17)13-28(37)34-14-20-11-22(16-34)26-9-10-27(36(40)41)32(38)35(26)15-20/h4-10,12,20,22,40H,11,13-16H2,1-3H3/q-1.

What are the key properties of 5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 580.62 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[hydroxy(oxido)amino]-11-[2-(2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 163124305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).