N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

C28H24N2O5 — CID 21048254

IUPACN-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(Cc2ccc(C(=O)Nc3c4ccccc4nc4ccccc34)o2)c(OC)c1
InChIInChI=1S/C28H24N2O5/c1-32-18-15-25(33-2)21(26(16-18)34-3)14-17-12-13-24(35-17)28(31)30-27-19-8-4-6-10-22(19)29-23-11-7-5-9-20(23)27/h4-13,15-16H,14H2,1-3H3,(H,29,30,31)
InChIKeyILIBFPQDLAMRAT-UHFFFAOYSA-N
MW468.51 g/mol
LogP5.85
Rot. Bonds7

About N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21048254) has the molecular formula C28H24N2O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21048254
Molecular FormulaC28H24N2O5
Molecular Weight468.51 g/mol
Exact Mass468.17
IUPAC NameN-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(Cc2ccc(C(=O)Nc3c4ccccc4nc4ccccc34)o2)c(OC)c1
InChIInChI=1S/C28H24N2O5/c1-32-18-15-25(33-2)21(26(16-18)34-3)14-17-12-13-24(35-17)28(31)30-27-19-8-4-6-10-22(19)29-23-11-7-5-9-20(23)27/h4-13,15-16H,14H2,1-3H3,(H,29,30,31)
InChIKeyILIBFPQDLAMRAT-UHFFFAOYSA-N
XLogP5.85
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4,6-trimethoxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047128
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047850
N-(4-methyl-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048045
N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047451
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047230
N-(5-chloro-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048114
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21046836
N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048103
methyl 3-methyl-4-[[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]amino]benzoate
CID 21046621
N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047825
N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047778
N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047405

Frequently Asked Questions

What is the IUPAC name of N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (CID 21048254) is N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is COc1cc(OC)c(Cc2ccc(C(=O)Nc3c4ccccc4nc4ccccc34)o2)c(OC)c1.
What is the InChIKey of N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is ILIBFPQDLAMRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O5/c1-32-18-15-25(33-2)21(26(16-18)34-3)14-17-12-13-24(35-17)28(31)30-27-19-8-4-6-10-22(19)29-23-11-7-5-9-20(23)27/h4-13,15-16H,14H2,1-3H3,(H,29,30,31).
What are the key properties of N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21048254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).