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

C34H41Cl2N3O5 — CID 56955204

IUPACN-[10-[(6-chloro-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)ccc35)CCCC4)oc2c1.Cl
InChIInChI=1S/C34H40ClN3O5.ClH/c1-42-23-19-28(39)32-29(40)21-31(43-30(32)20-23)34(41)37-17-11-7-5-3-2-4-6-10-16-36-33-24-12-8-9-13-26(24)38-27-18-22(35)14-15-25(27)33;/h14-15,18-21,39H,2-13,16-17H2,1H3,(H,36,38)(H,37,41);1H
InChIKeySXNGEMPCLBTIRK-UHFFFAOYSA-N
MW642.62 g/mol
LogP7.97
Rot. Bonds14

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

N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride (PubChem CID 56955204) has the molecular formula C34H41Cl2N3O5 and a molecular weight of 642.62 g/mol. Its IUPAC name is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride
PubChem CID56955204
Molecular FormulaC34H41Cl2N3O5
Molecular Weight642.62 g/mol
Exact Mass641.24
IUPAC NameN-[10-[(6-chloro-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)ccc35)CCCC4)oc2c1.Cl
InChIInChI=1S/C34H40ClN3O5.ClH/c1-42-23-19-28(39)32-29(40)21-31(43-30(32)20-23)34(41)37-17-11-7-5-3-2-4-6-10-16-36-33-24-12-8-9-13-26(24)38-27-18-22(35)14-15-25(27)33;/h14-15,18-21,39H,2-13,16-17H2,1H3,(H,36,38)(H,37,41);1H
InChIKeySXNGEMPCLBTIRK-UHFFFAOYSA-N
XLogP7.97
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.62
LogP ≤ 57.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[10-[(6-chloro-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-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride (CID 56955204) is N-[10-[(6-chloro-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-chloro-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-chloro-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)ccc35)CCCC4)oc2c1.Cl.
What is the InChIKey of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride?
The InChIKey is SXNGEMPCLBTIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40ClN3O5.ClH/c1-42-23-19-28(39)32-29(40)21-31(43-30(32)20-23)34(41)37-17-11-7-5-3-2-4-6-10-16-36-33-24-12-8-9-13-26(24)38-27-18-22(35)14-15-25(27)33;/h14-15,18-21,39H,2-13,16-17H2,1H3,(H,36,38)(H,37,41);1H.
What are the key properties of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride?
N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride has a molecular weight of 642.62 g/mol, XLogP of 7.97, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 56955204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).