1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione

C13H11N3O2 — CID 2785858

IUPAC1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCn1c(=O)c2cc3ccccc3nc2n(C)c1=O
InChIInChI=1S/C13H11N3O2/c1-15-11-9(12(17)16(2)13(15)18)7-8-5-3-4-6-10(8)14-11/h3-7H,1-2H3
InChIKeyVTCRFEUVBWRSMI-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.79
Rot. Bonds

About 1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione

1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 2785858) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione
PubChem CID2785858
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione
SMILESCn1c(=O)c2cc3ccccc3nc2n(C)c1=O
InChIInChI=1S/C13H11N3O2/c1-15-11-9(12(17)16(2)13(15)18)7-8-5-3-4-6-10(8)14-11/h3-7H,1-2H3
InChIKeyVTCRFEUVBWRSMI-UHFFFAOYSA-N
XLogP0.79
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Aminoquinoline-3-carboxamide
CID 5200228
2,3-Dihydro-3-(6-methyl-2-pyridinyl)-2-thioxo-4(1H)-quinazolinone
CID 2561763
N-(2-quinolinyl)benzamide
CID 2812454
4-methyl-N-quinolin-2-ylbenzamide
CID 2812455
N-(6-methylpyridin-2-yl)-6-phenylnicotinamide
CID 44157178
3-(2-Aminoquinolin-3-Yl)-N-Cyclohexyl-N-Methylpropanamide
CID 53346494
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dibutylamide
CID 11223216
[3-Methyl-2-(4-methyl-piperazin-1-yl)-quinolin-4-yl]-phenyl-methanone
CID 11290923
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11326121
N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide
CID 11348290

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione (CID 2785858) is 1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione is Cn1c(=O)c2cc3ccccc3nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is VTCRFEUVBWRSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-15-11-9(12(17)16(2)13(15)18)7-8-5-3-4-6-10(8)14-11/h3-7H,1-2H3.
What are the key properties of 1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione?
1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 241.25 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 2785858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).