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

C35H44ClN3O5 — CID 56955201

IUPAC5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
SMILESCOc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)oc2c1.Cl
InChIInChI=1S/C35H43N3O5.ClH/c1-41-24-21-30(42-2)33-29(39)23-32(43-31(33)22-24)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-25-15-9-11-17-27(25)38-28-18-12-10-16-26(28)34;/h9,11,15,17,21-23H,3-8,10,12-14,16,18-20H2,1-2H3,(H,36,38)(H,37,40);1H
InChIKeyDMDZQGPUTLHCDN-UHFFFAOYSA-N
MW622.21 g/mol
LogP7.62
Rot. Bonds15

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

5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride (PubChem CID 56955201) has the molecular formula C35H44ClN3O5 and a molecular weight of 622.21 g/mol. Its IUPAC name is 5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
PubChem CID56955201
Molecular FormulaC35H44ClN3O5
Molecular Weight622.21 g/mol
Exact Mass621.30
IUPAC Name5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
SMILESCOc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)oc2c1.Cl
InChIInChI=1S/C35H43N3O5.ClH/c1-41-24-21-30(42-2)33-29(39)23-32(43-31(33)22-24)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-25-15-9-11-17-27(25)38-28-18-12-10-16-26(28)34;/h9,11,15,17,21-23H,3-8,10,12-14,16,18-20H2,1-2H3,(H,36,38)(H,37,40);1H
InChIKeyDMDZQGPUTLHCDN-UHFFFAOYSA-N
XLogP7.62
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.21
LogP ≤ 57.62
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 5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
The IUPAC name of 5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride (CID 56955201) is 5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
The canonical SMILES for 5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride is COc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)oc2c1.Cl.
What is the InChIKey of 5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
The InChIKey is DMDZQGPUTLHCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N3O5.ClH/c1-41-24-21-30(42-2)33-29(39)23-32(43-31(33)22-24)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-25-15-9-11-17-27(25)38-28-18-12-10-16-26(28)34;/h9,11,15,17,21-23H,3-8,10,12-14,16,18-20H2,1-2H3,(H,36,38)(H,37,40);1H.
What are the key properties of 5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride has a molecular weight of 622.21 g/mol, XLogP of 7.62, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 56955201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).