N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide

C21H25N2O5P — CID 59835576

IUPACN-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide
SMILESCCOP(=O)(CCNC(=O)c1cccc2c(=O)c3cccc(C)c3[nH]c12)OCC
InChIInChI=1S/C21H25N2O5P/c1-4-27-29(26,28-5-2)13-12-22-21(25)17-11-7-10-16-19(17)23-18-14(3)8-6-9-15(18)20(16)24/h6-11H,4-5,12-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyVRYOHFIELOPHRC-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.99
Rot. Bonds8

About N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide

N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide (PubChem CID 59835576) has the molecular formula C21H25N2O5P and a molecular weight of 416.41 g/mol. Its IUPAC name is N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide
PubChem CID59835576
Molecular FormulaC21H25N2O5P
Molecular Weight416.41 g/mol
Exact Mass416.15
IUPAC NameN-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide
SMILESCCOP(=O)(CCNC(=O)c1cccc2c(=O)c3cccc(C)c3[nH]c12)OCC
InChIInChI=1S/C21H25N2O5P/c1-4-27-29(26,28-5-2)13-12-22-21(25)17-11-7-10-16-19(17)23-18-14(3)8-6-9-15(18)20(16)24/h6-11H,4-5,12-13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyVRYOHFIELOPHRC-UHFFFAOYSA-N
XLogP3.99
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-9-oxo-10H-acridine-4-carboxamide
CID 23191611
N-(2-aminoethyl)-5-iodo-9-oxo-10H-acridine-4-carboxamide
CID 70658321
2,7-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335219
N-ethyl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016604
6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride
CID 158037327
N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 30853286
1-[bis(pyridin-2-ylmethyl)amino]-N-(2-methoxyethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide
CID 118730891
N-(2-methoxyethyl)-5-methyl-9-oxo-1-(pyridin-2-ylmethylamino)-10H-acridine-4-carboxamide
CID 118730875
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 43813806
3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 44624444
N-[2-(diethylamino)ethyl]-7-(125I)iodo-9-oxo-10H-acridine-4-carboxamide;hydrochloride
CID 44587791
N-[2-(dimethylamino)ethyl]-5-methyl-9-oxo-1-(pyridin-4-ylmethylamino)-10H-acridine-4-carboxamide
CID 118730871

Frequently Asked Questions

What is the IUPAC name of N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide (CID 59835576) is N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide is CCOP(=O)(CCNC(=O)c1cccc2c(=O)c3cccc(C)c3[nH]c12)OCC.
What is the InChIKey of N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is VRYOHFIELOPHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N2O5P/c1-4-27-29(26,28-5-2)13-12-22-21(25)17-11-7-10-16-19(17)23-18-14(3)8-6-9-15(18)20(16)24/h6-11H,4-5,12-13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide?
N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diethoxyphosphorylethyl)-5-methyl-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 59835576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).