2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione

C19H19N3O2 — CID 10615759

IUPAC2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione
SMILESCN(C)CCN1Cc2ccc3c(=O)c4ccccc4[nH]c3c2C1=O
InChIInChI=1S/C19H19N3O2/c1-21(2)9-10-22-11-12-7-8-14-17(16(12)19(22)24)20-15-6-4-3-5-13(15)18(14)23/h3-8H,9-11H2,1-2H3,(H,20,23)
InChIKeyVRMOFDHSFXHXTC-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.20
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione

2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione (PubChem CID 10615759) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione
PubChem CID10615759
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione
SMILESCN(C)CCN1Cc2ccc3c(=O)c4ccccc4[nH]c3c2C1=O
InChIInChI=1S/C19H19N3O2/c1-21(2)9-10-22-11-12-7-8-14-17(16(12)19(22)24)20-15-6-4-3-5-13(15)18(14)23/h3-8H,9-11H2,1-2H3,(H,20,23)
InChIKeyVRMOFDHSFXHXTC-UHFFFAOYSA-N
XLogP2.20
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethyl]-1,6-dihydropyrrolo[3,4-c]carbazol-3-one
CID 67893425
4-[2-(dimethylamino)ethyl]-4,14-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2(6),7,9,11,15,17,19-octaene-3,5-dione
CID 11646133
N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide
CID 121289138
2-[2-(dimethylamino)ethyl]-5-methylsulfanyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione
CID 101075412
10H-acridin-9-one;ethane
CID 91525380
10H-acridin-9-one
CID 22753806
4-[2-(dimethylamino)ethyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 122560222
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006568
3,4-dichloro-10H-acridin-9-one
CID 138629142
3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 162837479
3-[2-(dimethylamino)ethyl]-1H-indol-2-amine
CID 54239513

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione (CID 10615759) is 2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione is CN(C)CCN1Cc2ccc3c(=O)c4ccccc4[nH]c3c2C1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione?
The InChIKey is VRMOFDHSFXHXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-21(2)9-10-22-11-12-7-8-14-17(16(12)19(22)24)20-15-6-4-3-5-13(15)18(14)23/h3-8H,9-11H2,1-2H3,(H,20,23).
What are the key properties of 2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione?
2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione has a molecular weight of 321.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-3,11-dihydropyrrolo[3,4-c]acridine-1,6-dione is sourced from PubChem (CID 10615759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).