N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide

C35H41Cl2N3O5 — CID 56954988

About N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide

N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide (PubChem CID 56954988) has the molecular formula C35H41Cl2N3O5 and a molecular weight of 654.64 g/mol. Its IUPAC name is N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide
• PubChem CID: 56954988
• Molecular Formula: C35H41Cl2N3O5
• Molecular Weight: 654.64 g/mol
• Exact Mass: 653.24
• IUPAC Name: N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide
• SMILES: COc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)cc(Cl)c35)CCCC4)oc2c1
• InChI: InChI=1S/C35H41Cl2N3O5/c1-43-23-19-29(44-2)33-28(41)21-31(45-30(33)20-23)35(42)39-16-12-8-6-4-3-5-7-11-15-38-34-24-13-9-10-14-26(24)40-27-18-22(36)17-25(37)32(27)34/h17-21H,3-16H2,1-2H3,(H,38,40)(H,39,42)
• InChIKey: ZBIJYSUQXYNZEQ-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 102.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.64
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	2
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-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide?

The IUPAC name of N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide (CID 56954988) is N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide is COc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)cc(Cl)c35)CCCC4)oc2c1.

What is the InChIKey of N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide?

The InChIKey is ZBIJYSUQXYNZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41Cl2N3O5/c1-43-23-19-29(44-2)33-28(41)21-31(45-30(33)20-23)35(42)39-16-12-8-6-4-3-5-7-11-15-38-34-24-13-9-10-14-26(24)40-27-18-22(36)17-25(37)32(27)34/h17-21H,3-16H2,1-2H3,(H,38,40)(H,39,42).

What are the key properties of N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide?

N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide has a molecular weight of 654.64 g/mol, XLogP of 8.51, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 56954988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).