N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide

C18H18N4O4 — CID 10450779

IUPACN-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C18H18N4O4/c1-21(2)8-7-19-18(24)14-10-11(22(25)26)9-13-16(14)20-15-6-4-3-5-12(15)17(13)23/h3-6,9-10H,7-8H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyUYZOPKXIZFENPJ-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.88
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide (PubChem CID 10450779) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide
PubChem CID10450779
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C18H18N4O4/c1-21(2)8-7-19-18(24)14-10-11(22(25)26)9-13-16(14)20-15-6-4-3-5-12(15)17(13)23/h3-6,9-10H,7-8H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyUYZOPKXIZFENPJ-UHFFFAOYSA-N
XLogP1.88
TPSA108.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide (CID 10450779) is N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide is CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c(=O)c3ccccc3[nH]c12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is UYZOPKXIZFENPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-21(2)8-7-19-18(24)14-10-11(22(25)26)9-13-16(14)20-15-6-4-3-5-12(15)17(13)23/h3-6,9-10H,7-8H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-nitro-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 10450779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).