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

C35H43Cl2N3O5 — CID 56955202

IUPACN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride
SMILESCOc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)oc2c1.Cl
InChIInChI=1S/C35H42ClN3O5.ClH/c1-42-24-20-30(43-2)33-29(40)22-32(44-31(33)21-24)35(41)38-18-12-8-6-4-3-5-7-11-17-37-34-25-13-9-10-14-27(25)39-28-19-23(36)15-16-26(28)34;/h15-16,19-22H,3-14,17-18H2,1-2H3,(H,37,39)(H,38,41);1H
InChIKeyRICIIYBGYBBNDN-UHFFFAOYSA-N
MW656.65 g/mol
LogP8.28
Rot. Bonds15

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

N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride (PubChem CID 56955202) has the molecular formula C35H43Cl2N3O5 and a molecular weight of 656.65 g/mol. Its IUPAC name is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride
PubChem CID56955202
Molecular FormulaC35H43Cl2N3O5
Molecular Weight656.65 g/mol
Exact Mass655.26
IUPAC NameN-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride
SMILESCOc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)oc2c1.Cl
InChIInChI=1S/C35H42ClN3O5.ClH/c1-42-24-20-30(43-2)33-29(40)22-32(44-31(33)21-24)35(41)38-18-12-8-6-4-3-5-7-11-17-37-34-25-13-9-10-14-27(25)39-28-19-23(36)15-16-26(28)34;/h15-16,19-22H,3-14,17-18H2,1-2H3,(H,37,39)(H,38,41);1H
InChIKeyRICIIYBGYBBNDN-UHFFFAOYSA-N
XLogP8.28
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.65
LogP ≤ 58.28
H-Bond Donors ≤ 52
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]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride?
The IUPAC name of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride (CID 56955202) is N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride is COc1cc(OC)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]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride?
The InChIKey is RICIIYBGYBBNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42ClN3O5.ClH/c1-42-24-20-30(43-2)33-29(40)22-32(44-31(33)21-24)35(41)38-18-12-8-6-4-3-5-7-11-17-37-34-25-13-9-10-14-27(25)39-28-19-23(36)15-16-26(28)34;/h15-16,19-22H,3-14,17-18H2,1-2H3,(H,37,39)(H,38,41);1H.
What are the key properties of N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride?
N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride has a molecular weight of 656.65 g/mol, XLogP of 8.28, 15 rotatable bonds, 2 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]-5,7-dimethoxy-4-oxochromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 56955202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).