8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

C16H16BrN3O2 — CID 15154346

IUPAC8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(Br)cc2c2c1C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C16H16BrN3O2/c1-9-13-14(11-8-10(17)4-5-12(11)18-9)16(22)20(15(13)21)7-6-19(2)3/h4-5,8H,6-7H2,1-3H3
InChIKeyDWVWTVHJBKOVKV-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.46
Rot. Bonds3

About 8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione

8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 15154346) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID15154346
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(Br)cc2c2c1C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C16H16BrN3O2/c1-9-13-14(11-8-10(17)4-5-12(11)18-9)16(22)20(15(13)21)7-6-19(2)3/h4-5,8H,6-7H2,1-3H3
InChIKeyDWVWTVHJBKOVKV-UHFFFAOYSA-N
XLogP2.46
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.46
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

8-bromo-2-(4-bromophenyl)-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 71818791
2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 15154348
2-[2-(dibutylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 588375
14-[2-(dimethylamino)ethyl]-4-methyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one;ethane
CID 144908958
8-chloro-4-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-c]quinoline-1,3-dione
CID 6710992
6-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]quinazolin-4-one
CID 62563598
2-[2-(dimethylamino)ethyl]-4-nitrobenzo[e]isoindole-1,3-dione
CID 21327568
6-bromo-3,4-diethyl-2-methylquinoline
CID 125452623
6-bromo-2,3-dimethylquinoline-4-carboxylic acid
CID 43829324
6-bromo-3-methyl-2-propylsulfanylquinazolin-4-one
CID 2981657
2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one
CID 12562121
6-bromo-3-ethyl-2-methylquinoline-4-carboxylic acid
CID 21061136

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (CID 15154346) is 8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccc(Br)cc2c2c1C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is DWVWTVHJBKOVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-9-13-14(11-8-10(17)4-5-12(11)18-9)16(22)20(15(13)21)7-6-19(2)3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 362.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-[2-(dimethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 15154346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).