6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone

C10H4N4O4 — CID 19041923

IUPAC6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone
SMILESO=C1c2cncnc2C(=O)c2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C10H4N4O4/c15-7-3-1-11-2-12-5(3)8(16)4-6(7)13-10(18)14-9(4)17/h1-2H,(H2,13,14,17,18)
InChIKeyRLIKUXISXQEGBR-UHFFFAOYSA-N
MW244.17 g/mol
LogP-1.37
Rot. Bonds

About 6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone

6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone (PubChem CID 19041923) has the molecular formula C10H4N4O4 and a molecular weight of 244.17 g/mol. Its IUPAC name is 6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone.

Molecular Properties

Compound Name6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone
PubChem CID19041923
Molecular FormulaC10H4N4O4
Molecular Weight244.17 g/mol
Exact Mass244.02
IUPAC Name6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone
SMILESO=C1c2cncnc2C(=O)c2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C10H4N4O4/c15-7-3-1-11-2-12-5(3)8(16)4-6(7)13-10(18)14-9(4)17/h1-2H,(H2,13,14,17,18)
InChIKeyRLIKUXISXQEGBR-UHFFFAOYSA-N
XLogP-1.37
TPSA125.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone?
The IUPAC name of 6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone (CID 19041923) is 6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone.
What is the SMILES notation for 6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone?
The canonical SMILES for 6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone is O=C1c2cncnc2C(=O)c2c1[nH]c(=O)[nH]c2=O.
What is the InChIKey of 6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone?
The InChIKey is RLIKUXISXQEGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N4O4/c15-7-3-1-11-2-12-5(3)8(16)4-6(7)13-10(18)14-9(4)17/h1-2H,(H2,13,14,17,18).
What are the key properties of 6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone?
6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone has a molecular weight of 244.17 g/mol, XLogP of -1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrimido[4,5-g]quinazoline-5,7,9,10-tetrone is sourced from PubChem (CID 19041923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).