imino-[(9-oxo-10H-acridin-2-yl)imino]azanium

C13H9N4O+ — CID 6332797

IUPACimino-[(9-oxo-10H-acridin-2-yl)imino]azanium
SMILESN=[N+]=Nc1ccc2[nH]c3ccccc3c(=O)c2c1
InChIInChI=1S/C13H8N4O/c14-17-16-8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)15-12/h1-7,14H/p+1
InChIKeyOTSGKSCZDNINLY-UHFFFAOYSA-O
MW237.24 g/mol
LogP2.86
Rot. Bonds1

About imino-[(9-oxo-10H-acridin-2-yl)imino]azanium

imino-[(9-oxo-10H-acridin-2-yl)imino]azanium (PubChem CID 6332797) has the molecular formula C13H9N4O+ and a molecular weight of 237.24 g/mol. Its IUPAC name is imino-[(9-oxo-10H-acridin-2-yl)imino]azanium.

Molecular Properties

Compound Nameimino-[(9-oxo-10H-acridin-2-yl)imino]azanium
PubChem CID6332797
Molecular FormulaC13H9N4O+
Molecular Weight237.24 g/mol
Exact Mass237.08
IUPAC Nameimino-[(9-oxo-10H-acridin-2-yl)imino]azanium
SMILESN=[N+]=Nc1ccc2[nH]c3ccccc3c(=O)c2c1
InChIInChI=1S/C13H8N4O/c14-17-16-8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)15-12/h1-7,14H/p+1
InChIKeyOTSGKSCZDNINLY-UHFFFAOYSA-O
XLogP2.86
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

10H-acridin-9-one
CID 22753806
imino-[(4-methyl-2,5-dioxo-1H-1-benzazepin-3-yl)imino]azanium
CID 6333413
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
10H-acridin-9-one;ethane
CID 91525380
9-oxo-10H-acridine-2-sulfonyl chloride
CID 59000158
2-phenoxy-10H-acridin-9-one
CID 14029103
2-(2-aminoethyl)-10H-acridin-9-one
CID 24994404
2-octoxy-10H-acridin-9-one
CID 611041
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-3-carboxylic acid
CID 18344486
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane;methanesulfonate;methylsulfonylmethane;yttrium
CID 160914916
12H-thiochromeno[2,3-b]acridine-7,14-dione
CID 67634698
4-chloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;4,11-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 162179481

Frequently Asked Questions

What is the IUPAC name of imino-[(9-oxo-10H-acridin-2-yl)imino]azanium?
The IUPAC name of imino-[(9-oxo-10H-acridin-2-yl)imino]azanium (CID 6332797) is imino-[(9-oxo-10H-acridin-2-yl)imino]azanium.
What is the SMILES notation for imino-[(9-oxo-10H-acridin-2-yl)imino]azanium?
The canonical SMILES for imino-[(9-oxo-10H-acridin-2-yl)imino]azanium is N=[N+]=Nc1ccc2[nH]c3ccccc3c(=O)c2c1.
What is the InChIKey of imino-[(9-oxo-10H-acridin-2-yl)imino]azanium?
The InChIKey is OTSGKSCZDNINLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H8N4O/c14-17-16-8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)15-12/h1-7,14H/p+1.
What are the key properties of imino-[(9-oxo-10H-acridin-2-yl)imino]azanium?
imino-[(9-oxo-10H-acridin-2-yl)imino]azanium has a molecular weight of 237.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[(9-oxo-10H-acridin-2-yl)imino]azanium is sourced from PubChem (CID 6332797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).