3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one

C11H8FN5O — CID 10263895

IUPAC3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one
SMILESCc1nc2c(nnc3cc(F)ccc32)c(=O)n1N
InChIInChI=1S/C11H8FN5O/c1-5-14-9-7-3-2-6(12)4-8(7)15-16-10(9)11(18)17(5)13/h2-4H,13H2,1H3
InChIKeyKGNHGHJJWHJZKZ-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.50
Rot. Bonds

About 3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one

3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one (PubChem CID 10263895) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one.

Molecular Properties

Compound Name3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one
PubChem CID10263895
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one
SMILESCc1nc2c(nnc3cc(F)ccc32)c(=O)n1N
InChIInChI=1S/C11H8FN5O/c1-5-14-9-7-3-2-6(12)4-8(7)15-16-10(9)11(18)17(5)13/h2-4H,13H2,1H3
InChIKeyKGNHGHJJWHJZKZ-UHFFFAOYSA-N
XLogP0.50
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one?
The IUPAC name of 3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one (CID 10263895) is 3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one.
What is the SMILES notation for 3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one?
The canonical SMILES for 3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one is Cc1nc2c(nnc3cc(F)ccc32)c(=O)n1N.
What is the InChIKey of 3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one?
The InChIKey is KGNHGHJJWHJZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c1-5-14-9-7-3-2-6(12)4-8(7)15-16-10(9)11(18)17(5)13/h2-4H,13H2,1H3.
What are the key properties of 3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one?
3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one has a molecular weight of 245.22 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-fluoro-2-methylpyrimido[5,4-c]cinnolin-4-one is sourced from PubChem (CID 10263895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).