N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide

C21H19N3O4 — CID 3592552

IUPACN-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide
SMILESCOc1ccc2nc3c(c(NC(=O)c4ccc([N+](=O)[O-])cc4)c2c1)CCCC3
InChIInChI=1S/C21H19N3O4/c1-28-15-10-11-19-17(12-15)20(16-4-2-3-5-18(16)22-19)23-21(25)13-6-8-14(9-7-13)24(26)27/h6-12H,2-5H2,1H3,(H,22,23,25)
InChIKeyNNBLLQSLIZADJU-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.28
Rot. Bonds4

About N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide

N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide (PubChem CID 3592552) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide
PubChem CID3592552
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide
SMILESCOc1ccc2nc3c(c(NC(=O)c4ccc([N+](=O)[O-])cc4)c2c1)CCCC3
InChIInChI=1S/C21H19N3O4/c1-28-15-10-11-19-17(12-15)20(16-4-2-3-5-18(16)22-19)23-21(25)13-6-8-14(9-7-13)24(26)27/h6-12H,2-5H2,1H3,(H,22,23,25)
InChIKeyNNBLLQSLIZADJU-UHFFFAOYSA-N
XLogP4.28
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)hydroxylamine
CID 21192892
3-methoxy-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide
CID 6622290
7-methoxy-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82452012
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 10710689
N-[9-(3,4-dimethoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-4-methoxy-3-nitrobenzamide
CID 46503451
1-(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
CID 82451979
4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol
CID 166382730
N-(2-methoxy-5-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 51180022
4-fluoro-N-[9-(2-methoxyanilino)-5,6,7,8-tetrahydroacridin-2-yl]-3-nitrobenzamide;hydrochloride
CID 146051491
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 54605075

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide?
The IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide (CID 3592552) is N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide.
What is the SMILES notation for N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide?
The canonical SMILES for N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide is COc1ccc2nc3c(c(NC(=O)c4ccc([N+](=O)[O-])cc4)c2c1)CCCC3.
What is the InChIKey of N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide?
The InChIKey is NNBLLQSLIZADJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-28-15-10-11-19-17(12-15)20(16-4-2-3-5-18(16)22-19)23-21(25)13-6-8-14(9-7-13)24(26)27/h6-12H,2-5H2,1H3,(H,22,23,25).
What are the key properties of N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide?
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide has a molecular weight of 377.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-4-nitrobenzamide is sourced from PubChem (CID 3592552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).