N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide

C34H40ClN3O5 — CID 56955198

About N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide

N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide (PubChem CID 56955198) has the molecular formula C34H40ClN3O5 and a molecular weight of 606.16 g/mol. Its IUPAC name is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide
• PubChem CID: 56955198
• Molecular Formula: C34H40ClN3O5
• Molecular Weight: 606.16 g/mol
• Exact Mass: 605.27
• IUPAC Name: N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide
• SMILES: COc1cc(O)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)oc2c1
• InChI: InChI=1S/C34H40ClN3O5/c1-42-23-19-28(39)32-29(40)21-31(43-30(32)20-23)34(41)37-17-11-7-5-3-2-4-6-10-16-36-33-24-12-8-9-13-26(24)38-27-18-22(35)14-15-25(27)33/h14-15,18-21,39H,2-13,16-17H2,1H3,(H,36,38)(H,37,41)
• InChIKey: ZUULLQGMZOHIHX-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 113.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.16
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?

The IUPAC name of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide (CID 56955198) is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide is COc1cc(O)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)oc2c1.

What is the InChIKey of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?

The InChIKey is ZUULLQGMZOHIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40ClN3O5/c1-42-23-19-28(39)32-29(40)21-31(43-30(32)20-23)34(41)37-17-11-7-5-3-2-4-6-10-16-36-33-24-12-8-9-13-26(24)38-27-18-22(35)14-15-25(27)33/h14-15,18-21,39H,2-13,16-17H2,1H3,(H,36,38)(H,37,41).

What are the key properties of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?

N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide has a molecular weight of 606.16 g/mol, XLogP of 7.55, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 56955198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).