N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide

C21H18N4O3 — CID 6899931

IUPACN-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESO=C(N/N=C/c1ccccc1[N+](=O)[O-])c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H18N4O3/c26-21(24-22-13-14-7-1-6-12-19(14)25(27)28)20-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)20/h1-2,4,6-8,10,12-13H,3,5,9,11H2,(H,24,26)/b22-13+
InChIKeyOLKBYXQLCXPNNT-LPYMAVHISA-N
MW374.40 g/mol
LogP3.79
Rot. Bonds4

About N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide

N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 6899931) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID6899931
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESO=C(N/N=C/c1ccccc1[N+](=O)[O-])c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C21H18N4O3/c26-21(24-22-13-14-7-1-6-12-19(14)25(27)28)20-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)20/h1-2,4,6-8,10,12-13H,3,5,9,11H2,(H,24,26)/b22-13+
InChIKeyOLKBYXQLCXPNNT-LPYMAVHISA-N
XLogP3.79
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 2316006
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46809389
N'-(4-nitrophenyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carbohydrazide
CID 21205834
N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6872935
N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide
CID 155522498
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
(2-nitrophenyl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 9139192
N-[(E)-(2-nitrophenyl)methylideneamino]-1,2-benzothiazole-3-carboxamide
CID 10616099
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
N-[(2-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2663634
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110527226

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 6899931) is N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide is O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is OLKBYXQLCXPNNT-LPYMAVHISA-N. The full InChI is InChI=1S/C21H18N4O3/c26-21(24-22-13-14-7-1-6-12-19(14)25(27)28)20-15-8-2-4-10-17(15)23-18-11-5-3-9-16(18)20/h1-2,4,6-8,10,12-13H,3,5,9,11H2,(H,24,26)/b22-13+.
What are the key properties of N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide?
N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-nitrophenyl)methylideneamino]-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 6899931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).