6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride

C35H44ClN3O5 — CID 56955295

IUPAC6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
SMILESCOc1cc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc(=O)c2cc1OC.Cl
InChIInChI=1S/C35H43N3O5.ClH/c1-41-31-21-26-29(39)22-33(43-30(26)23-32(31)42-2)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-24-15-9-11-17-27(24)38-28-18-12-10-16-25(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
InChIKeyRFQVXAFXUKLVRK-UHFFFAOYSA-N
MW622.21 g/mol
LogP7.62
Rot. Bonds15

About 6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride

6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride (PubChem CID 56955295) has the molecular formula C35H44ClN3O5 and a molecular weight of 622.21 g/mol. Its IUPAC name is 6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
PubChem CID56955295
Molecular FormulaC35H44ClN3O5
Molecular Weight622.21 g/mol
Exact Mass621.30
IUPAC Name6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
SMILESCOc1cc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc(=O)c2cc1OC.Cl
InChIInChI=1S/C35H43N3O5.ClH/c1-41-31-21-26-29(39)22-33(43-30(26)23-32(31)42-2)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-24-15-9-11-17-27(24)38-28-18-12-10-16-25(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
InChIKeyRFQVXAFXUKLVRK-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'}

Analyze 6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3,4,5-trimethoxy-N-(6-oxo-6-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)hexyl)-benzamide
CID 16094856
3,4,5-trimethoxy-N-(8-oxo-8-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)octyl)-benzamide
CID 16094857
3,4,5-trimethoxy-N-(7-oxo-7-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)heptyl)-benzamide
CID 16094873
3,4,5-trimethoxy-N-(4-oxo-4-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)butyl)-benzamide
CID 16094855
3,4,5-trimethoxy-N-(5-oxo-5-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)pentyl)-benzamide
CID 16094872
2-[2-[[6-[2-(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazinyl]-6-oxohexyl]carbamoyl]-4,5-bis[2-(triethylazaniumyl)ethoxy]phenoxy]ethyl-triethylazanium tribromide
CID 45266176
4-oxo-N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]chromene-2-carboxamide;hydrochloride
CID 56954991
4-oxo-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]chromene-2-carboxamide;hydrochloride
CID 56954993
4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
CID 56954995
4-oxo-N-[12-(1,2,3,4-tetrahydroacridin-9-ylamino)dodecyl]chromene-2-carboxamide;hydrochloride
CID 56954997
6-methoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride
CID 56955103
N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide;hydrochloride
CID 56955104

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
The IUPAC name of 6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride (CID 56955295) is 6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride is COc1cc2oc(C(=O)NCCCCCCCCCCNc3c4c(nc5ccccc35)CCCC4)cc(=O)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
The InChIKey is RFQVXAFXUKLVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N3O5.ClH/c1-41-31-21-26-29(39)22-33(43-30(26)23-32(31)42-2)35(40)37-20-14-8-6-4-3-5-7-13-19-36-34-24-15-9-11-17-27(24)38-28-18-12-10-16-25(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 6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride?
6,7-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 6,7-dimethoxy-4-oxo-N-[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]chromene-2-carboxamide;hydrochloride is sourced from PubChem (CID 56955295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).