6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide

C33H43N3O3 — CID 118732690

About 6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide

6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide (PubChem CID 118732690) has the molecular formula C33H43N3O3 and a molecular weight of 529.73 g/mol. Its IUPAC name is 6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

• Compound Name: 6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide
• PubChem CID: 118732690
• Molecular Formula: C33H43N3O3
• Molecular Weight: 529.73 g/mol
• Exact Mass: 529.33
• IUPAC Name: 6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide
• SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2
• InChI: InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38)
• InChIKey: ATFSKIZVJOMGAR-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 83.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.73
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide?

The IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide (CID 118732690) is 6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide.

What is the SMILES notation for 6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide?

The canonical SMILES for 6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2.

What is the InChIKey of 6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide?

The InChIKey is ATFSKIZVJOMGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N3O3/c1-21-22(2)31-24(23(3)30(21)37)17-18-33(4,39-31)32(38)35-20-12-6-5-11-19-34-29-25-13-7-9-15-27(25)36-28-16-10-8-14-26(28)29/h7,9,13,15,37H,5-6,8,10-12,14,16-20H2,1-4H3,(H,34,36)(H,35,38).

What are the key properties of 6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide?

6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide has a molecular weight of 529.73 g/mol, XLogP of 6.62, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-2,5,7,8-tetramethyl-N-[6-(1,2,3,4-tetrahydroacridin-9-ylamino)hexyl]-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 118732690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).