6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide

C30H33N3O5 — CID 118711809

About 6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide

6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide (PubChem CID 118711809) has the molecular formula C30H33N3O5 and a molecular weight of 515.61 g/mol. Its IUPAC name is 6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide.

Molecular Properties

• Compound Name: 6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide
• PubChem CID: 118711809
• Molecular Formula: C30H33N3O5
• Molecular Weight: 515.61 g/mol
• Exact Mass: 515.24
• IUPAC Name: 6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide
• SMILES: COc1cc2cc(C(=O)NCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)oc2cc1OC
• InChI: InChI=1S/C30H33N3O5/c1-36-26-17-19-16-22(30(35)38-25(19)18-27(26)37-2)29(34)32-15-9-3-8-14-31-28-20-10-4-6-12-23(20)33-24-13-7-5-11-21(24)28/h4,6,10,12,16-18H,3,5,7-9,11,13-15H2,1-2H3,(H,31,33)(H,32,34)
• InChIKey: WQAOCFQOQDPKHB-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 102.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.61
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide?

The IUPAC name of 6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide (CID 118711809) is 6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide.

What is the SMILES notation for 6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide?

The canonical SMILES for 6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide is COc1cc2cc(C(=O)NCCCCCNc3c4c(nc5ccccc35)CCCC4)c(=O)oc2cc1OC.

What is the InChIKey of 6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide?

The InChIKey is WQAOCFQOQDPKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O5/c1-36-26-17-19-16-22(30(35)38-25(19)18-27(26)37-2)29(34)32-15-9-3-8-14-31-28-20-10-4-6-12-23(20)33-24-13-7-5-11-21(24)28/h4,6,10,12,16-18H,3,5,7-9,11,13-15H2,1-2H3,(H,31,33)(H,32,34).

What are the key properties of 6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide?

6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 5.25, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide is sourced from PubChem (CID 118711809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).