N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride

C34H40Cl3N3O5 — CID 56955206

IUPACN-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride
SMILESCOc1cc(O)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)cc(Cl)c35)CCCC4)oc2c1.Cl
InChIInChI=1S/C34H39Cl2N3O5.ClH/c1-43-22-18-27(40)32-28(41)20-30(44-29(32)19-22)34(42)38-15-11-7-5-3-2-4-6-10-14-37-33-23-12-8-9-13-25(23)39-26-17-21(35)16-24(36)31(26)33;/h16-20,40H,2-15H2,1H3,(H,37,39)(H,38,42);1H
InChIKeyYJGGMUNRJFGQAW-UHFFFAOYSA-N
MW677.07 g/mol
LogP8.63
Rot. Bonds14

About N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride

N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride (PubChem CID 56955206) has the molecular formula C34H40Cl3N3O5 and a molecular weight of 677.07 g/mol. Its IUPAC name is N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride
PubChem CID56955206
Molecular FormulaC34H40Cl3N3O5
Molecular Weight677.07 g/mol
Exact Mass675.20
IUPAC NameN-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride
SMILESCOc1cc(O)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)cc(Cl)c35)CCCC4)oc2c1.Cl
InChIInChI=1S/C34H39Cl2N3O5.ClH/c1-43-22-18-27(40)32-28(41)20-30(44-29(32)19-22)34(42)38-15-11-7-5-3-2-4-6-10-14-37-33-23-12-8-9-13-25(23)39-26-17-21(35)16-24(36)31(26)33;/h16-20,40H,2-15H2,1H3,(H,37,39)(H,38,42);1H
InChIKeyYJGGMUNRJFGQAW-UHFFFAOYSA-N
XLogP8.63
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.07
LogP ≤ 58.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride?
The IUPAC name of N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride (CID 56955206) is N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride is COc1cc(O)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)cc(Cl)c35)CCCC4)oc2c1.Cl.
What is the InChIKey of N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride?
The InChIKey is YJGGMUNRJFGQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39Cl2N3O5.ClH/c1-43-22-18-27(40)32-28(41)20-30(44-29(32)19-22)34(42)38-15-11-7-5-3-2-4-6-10-14-37-33-23-12-8-9-13-25(23)39-26-17-21(35)16-24(36)31(26)33;/h16-20,40H,2-15H2,1H3,(H,37,39)(H,38,42);1H.
What are the key properties of N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride?
N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride has a molecular weight of 677.07 g/mol, XLogP of 8.63, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 56955206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).