2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

C18H21N3O2 — CID 15154348

IUPAC2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCCN(CC)CCN1C(=O)c2c(C)nc3ccccc3c2C1=O
InChIInChI=1S/C18H21N3O2/c1-4-20(5-2)10-11-21-17(22)15-12(3)19-14-9-7-6-8-13(14)16(15)18(21)23/h6-9H,4-5,10-11H2,1-3H3
InChIKeyFNRPSMXGRYKFQD-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.48
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 15154348) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID15154348
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCCN(CC)CCN1C(=O)c2c(C)nc3ccccc3c2C1=O
InChIInChI=1S/C18H21N3O2/c1-4-20(5-2)10-11-21-17(22)15-12(3)19-14-9-7-6-8-13(14)16(15)18(21)23/h6-9H,4-5,10-11H2,1-3H3
InChIKeyFNRPSMXGRYKFQD-UHFFFAOYSA-N
XLogP2.48
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 588375
2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride
CID 3057183
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione
CID 22422576
2-(chloromethyl)-3-[3-(diethylamino)propyl]quinazolin-4-one
CID 61064400
4-benzyl-2-[2-(diethylamino)ethyl]phthalazin-1-one
CID 3529139
11,11-dimethyl-14-propyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,8,12-hexaene-10,15-dione
CID 73294043
4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one
CID 23332746
1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride
CID 90485541
3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one
CID 43341001
4-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione
CID 6735722
6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one
CID 10936974

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (CID 15154348) is 2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is CCN(CC)CCN1C(=O)c2c(C)nc3ccccc3c2C1=O.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is FNRPSMXGRYKFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-20(5-2)10-11-21-17(22)15-12(3)19-14-9-7-6-8-13(14)16(15)18(21)23/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 311.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 15154348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).