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

C34H45N3O3 — CID 118732691

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

6-hydroxy-2,5,7,8-tetramethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-3,4-dihydrochromene-2-carboxamide (PubChem CID 118732691) has the molecular formula C34H45N3O3 and a molecular weight of 543.75 g/mol. Its IUPAC name is 6-hydroxy-2,5,7,8-tetramethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

• Compound Name: 6-hydroxy-2,5,7,8-tetramethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-3,4-dihydrochromene-2-carboxamide
• PubChem CID: 118732691
• Molecular Formula: C34H45N3O3
• Molecular Weight: 543.75 g/mol
• Exact Mass: 543.35
• IUPAC Name: 6-hydroxy-2,5,7,8-tetramethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-3,4-dihydrochromene-2-carboxamide
• SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2
• InChI: InChI=1S/C34H45N3O3/c1-22-23(2)32-25(24(3)31(22)38)18-19-34(4,40-32)33(39)36-21-13-7-5-6-12-20-35-30-26-14-8-10-16-28(26)37-29-17-11-9-15-27(29)30/h8,10,14,16,38H,5-7,9,11-13,15,17-21H2,1-4H3,(H,35,37)(H,36,39)
• InChIKey: GYANWDNIKGBQDN-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 83.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.75
LogP ≤ 5	7.01
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-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-3,4-dihydrochromene-2-carboxamide?

The IUPAC name of 6-hydroxy-2,5,7,8-tetramethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-3,4-dihydrochromene-2-carboxamide (CID 118732691) is 6-hydroxy-2,5,7,8-tetramethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-3,4-dihydrochromene-2-carboxamide.

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

The canonical SMILES for 6-hydroxy-2,5,7,8-tetramethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-3,4-dihydrochromene-2-carboxamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)NCCCCCCCNc1c3c(nc4ccccc14)CCCC3)O2.

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

The InChIKey is GYANWDNIKGBQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N3O3/c1-22-23(2)32-25(24(3)31(22)38)18-19-34(4,40-32)33(39)36-21-13-7-5-6-12-20-35-30-26-14-8-10-16-28(26)37-29-17-11-9-15-27(29)30/h8,10,14,16,38H,5-7,9,11-13,15,17-21H2,1-4H3,(H,35,37)(H,36,39).

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

6-hydroxy-2,5,7,8-tetramethyl-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-3,4-dihydrochromene-2-carboxamide has a molecular weight of 543.75 g/mol, XLogP of 7.01, 10 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-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 118732691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).