N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide

C30H31N3O5 — CID 15987714

IUPACN-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)c1
InChIInChI=1S/C30H31N3O5/c1-35-21-13-18(14-22(17-21)36-2)30(34)32-19-9-11-26-24(15-19)29(23-7-5-6-8-25(23)33-26)31-20-10-12-27(37-3)28(16-20)38-4/h9-17H,5-8H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyUAVDIVITZJRUDE-UHFFFAOYSA-N
MW513.59 g/mol
LogP6.14
Rot. Bonds8

About N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide

N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide (PubChem CID 15987714) has the molecular formula C30H31N3O5 and a molecular weight of 513.59 g/mol. Its IUPAC name is N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide
PubChem CID15987714
Molecular FormulaC30H31N3O5
Molecular Weight513.59 g/mol
Exact Mass513.23
IUPAC NameN-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)c1
InChIInChI=1S/C30H31N3O5/c1-35-21-13-18(14-22(17-21)36-2)30(34)32-19-9-11-26-24(15-19)29(23-7-5-6-8-25(23)33-26)31-20-10-12-27(37-3)28(16-20)38-4/h9-17H,5-8H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyUAVDIVITZJRUDE-UHFFFAOYSA-N
XLogP6.14
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.59
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
Tacrine derivative 15a
CID 11854653
CID 45139825
CID 45139825
3,4,5-trimethoxy-N-(3-oxo-3-(2-(1,2,3,4-tetrahydroacridin-9-yl)hydrazino)propyl)-benzamide
CID 16094854
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
3,4-dimethoxy-N-(2-methylquinolin-5-yl)benzamide
CID 2996969
N-(3,4,5-trimethoxyphenyl)acridin-9-amine
CID 430132
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenyl)-4-quinolinecarboxamide
CID 1013515
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide
CID 1219675

Frequently Asked Questions

What is the IUPAC name of N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide (CID 15987714) is N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc3nc4c(c(Nc5ccc(OC)c(OC)c5)c3c2)CCCC4)c1.
What is the InChIKey of N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is UAVDIVITZJRUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O5/c1-35-21-13-18(14-22(17-21)36-2)30(34)32-19-9-11-26-24(15-19)29(23-7-5-6-8-25(23)33-26)31-20-10-12-27(37-3)28(16-20)38-4/h9-17H,5-8H2,1-4H3,(H,31,33)(H,32,34).
What are the key properties of N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide?
N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 513.59 g/mol, XLogP of 6.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 15987714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).