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

C35H47N3O3 — CID 118732692

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

6-hydroxy-2,5,7,8-tetramethyl-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-3,4-dihydrochromene-2-carboxamide (PubChem CID 118732692) has the molecular formula C35H47N3O3 and a molecular weight of 557.78 g/mol. Its IUPAC name is 6-hydroxy-2,5,7,8-tetramethyl-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

• Compound Name: 6-hydroxy-2,5,7,8-tetramethyl-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-3,4-dihydrochromene-2-carboxamide
• PubChem CID: 118732692
• Molecular Formula: C35H47N3O3
• Molecular Weight: 557.78 g/mol
• Exact Mass: 557.36
• IUPAC Name: 6-hydroxy-2,5,7,8-tetramethyl-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-3,4-dihydrochromene-2-carboxamide
• SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2
• InChI: InChI=1S/C35H47N3O3/c1-23-24(2)33-26(25(3)32(23)39)19-20-35(4,41-33)34(40)37-22-14-8-6-5-7-13-21-36-31-27-15-9-11-17-29(27)38-30-18-12-10-16-28(30)31/h9,11,15,17,39H,5-8,10,12-14,16,18-22H2,1-4H3,(H,36,38)(H,37,40)
• InChIKey: HELQVBTZKVKAPS-UHFFFAOYSA-N
• XLogP: 7.40
• TPSA: 83.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.78
LogP ≤ 5	7.40
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-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-3,4-dihydrochromene-2-carboxamide?

The IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-3,4-dihydrochromene-2-carboxamide (CID 118732692) is 6-hydroxy-2,5,7,8-tetramethyl-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-3,4-dihydrochromene-2-carboxamide.

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

The canonical SMILES for 6-hydroxy-2,5,7,8-tetramethyl-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2.

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

The InChIKey is HELQVBTZKVKAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N3O3/c1-23-24(2)33-26(25(3)32(23)39)19-20-35(4,41-33)34(40)37-22-14-8-6-5-7-13-21-36-31-27-15-9-11-17-29(27)38-30-18-12-10-16-28(30)31/h9,11,15,17,39H,5-8,10,12-14,16,18-22H2,1-4H3,(H,36,38)(H,37,40).

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

6-hydroxy-2,5,7,8-tetramethyl-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-3,4-dihydrochromene-2-carboxamide has a molecular weight of 557.78 g/mol, XLogP of 7.40, 11 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-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 118732692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).