5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride

C33H40ClN3O5 — CID 56955110

About 5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride

5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride (PubChem CID 56955110) has the molecular formula C33H40ClN3O5 and a molecular weight of 594.15 g/mol. Its IUPAC name is 5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
• PubChem CID: 56955110
• Molecular Formula: C33H40ClN3O5
• Molecular Weight: 594.15 g/mol
• Exact Mass: 593.27
• IUPAC Name: 5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
• SMILES: Cl.O=C(NCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2c(O)cc(O)cc2o1
• InChI: InChI=1S/C33H39N3O5.ClH/c37-22-19-27(38)31-28(39)21-30(41-29(31)20-22)33(40)35-18-12-6-4-2-1-3-5-11-17-34-32-23-13-7-9-15-25(23)36-26-16-10-8-14-24(26)32;/h7,9,13,15,19-21,37-38H,1-6,8,10-12,14,16-18H2,(H,34,36)(H,35,40);1H
• InChIKey: WJPKAENXGBJQNB-UHFFFAOYSA-N
• XLogP: 7.02
• TPSA: 124.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.15
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	4
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 5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?

The IUPAC name of 5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride (CID 56955110) is 5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride.

What is the SMILES notation for 5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?

The canonical SMILES for 5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride is Cl.O=C(NCCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2)c1cc(=O)c2c(O)cc(O)cc2o1.

What is the InChIKey of 5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?

The InChIKey is WJPKAENXGBJQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O5.ClH/c37-22-19-27(38)31-28(39)21-30(41-29(31)20-22)33(40)35-18-12-6-4-2-1-3-5-11-17-34-32-23-13-7-9-15-25(23)36-26-16-10-8-14-24(26)32;/h7,9,13,15,19-21,37-38H,1-6,8,10-12,14,16-18H2,(H,34,36)(H,35,40);1H.

What are the key properties of 5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?

5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride has a molecular weight of 594.15 g/mol, XLogP of 7.02, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dihydroxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 56955110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).