1H-pyrimido[4,5-b]quinoline-2,4-dione

C11H7N3O2 — CID 5376058

IUPAC1H-pyrimido[4,5-b]quinoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc3ccccc3nc2[nH]1
InChIInChI=1S/C11H7N3O2/c15-10-7-5-6-3-1-2-4-8(6)12-9(7)13-11(16)14-10/h1-5H,(H2,12,13,14,15,16)
InChIKeyKWHWFTSHDPJOTG-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.76
Rot. Bonds

About 1H-pyrimido[4,5-b]quinoline-2,4-dione

1H-pyrimido[4,5-b]quinoline-2,4-dione (PubChem CID 5376058) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1H-pyrimido[4,5-b]quinoline-2,4-dione.

Molecular Properties

Compound Name1H-pyrimido[4,5-b]quinoline-2,4-dione
PubChem CID5376058
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name1H-pyrimido[4,5-b]quinoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc3ccccc3nc2[nH]1
InChIInChI=1S/C11H7N3O2/c15-10-7-5-6-3-1-2-4-8(6)12-9(7)13-11(16)14-10/h1-5H,(H2,12,13,14,15,16)
InChIKeyKWHWFTSHDPJOTG-UHFFFAOYSA-N
XLogP0.76
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Vx-702
CID 10341154
1,3-Benzenedicarboxamide, N,N'-bis(6-methyl-2-pyridinyl)-
CID 720149
2-Aminoquinoline-3-carboxamide
CID 5200228
2,3-Dihydro-3-(6-methyl-2-pyridinyl)-2-thioxo-4(1H)-quinazolinone
CID 2561763
1,3-Dimethyl-1,2,3,4-tetrahydropyrimido[4,5-b]quinoline-2,4-dione
CID 2785858
N-(2-quinolinyl)benzamide
CID 2812454
4-methyl-N-quinolin-2-ylbenzamide
CID 2812455
N-(2-quinolinyl)cyclohexanecarboxamide
CID 2812969
N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
CID 5093257
Cambridge id 6030410
CID 761228
N-(6-methylpyridin-2-yl)-6-phenylnicotinamide
CID 44157178
N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide
CID 10085767

Frequently Asked Questions

What is the IUPAC name of 1H-pyrimido[4,5-b]quinoline-2,4-dione?
The IUPAC name of 1H-pyrimido[4,5-b]quinoline-2,4-dione (CID 5376058) is 1H-pyrimido[4,5-b]quinoline-2,4-dione.
What is the SMILES notation for 1H-pyrimido[4,5-b]quinoline-2,4-dione?
The canonical SMILES for 1H-pyrimido[4,5-b]quinoline-2,4-dione is O=c1[nH]c(=O)c2cc3ccccc3nc2[nH]1.
What is the InChIKey of 1H-pyrimido[4,5-b]quinoline-2,4-dione?
The InChIKey is KWHWFTSHDPJOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-10-7-5-6-3-1-2-4-8(6)12-9(7)13-11(16)14-10/h1-5H,(H2,12,13,14,15,16).
What are the key properties of 1H-pyrimido[4,5-b]quinoline-2,4-dione?
1H-pyrimido[4,5-b]quinoline-2,4-dione has a molecular weight of 213.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimido[4,5-b]quinoline-2,4-dione is sourced from PubChem (CID 5376058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).