7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one

C15H12ClFN2O — CID 18317494

IUPAC7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one
SMILESCc1cnnc2c1C(=O)CC(c1cc(Cl)ccc1F)C2
InChIInChI=1S/C15H12ClFN2O/c1-8-7-18-19-13-4-9(5-14(20)15(8)13)11-6-10(16)2-3-12(11)17/h2-3,6-7,9H,4-5H2,1H3
InChIKeyGIEXTFUJLANILU-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.49
Rot. Bonds1

About 7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one

7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one (PubChem CID 18317494) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one.

Molecular Properties

Compound Name7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one
PubChem CID18317494
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one
SMILESCc1cnnc2c1C(=O)CC(c1cc(Cl)ccc1F)C2
InChIInChI=1S/C15H12ClFN2O/c1-8-7-18-19-13-4-9(5-14(20)15(8)13)11-6-10(16)2-3-12(11)17/h2-3,6-7,9H,4-5H2,1H3
InChIKeyGIEXTFUJLANILU-UHFFFAOYSA-N
XLogP3.49
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one?
The IUPAC name of 7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one (CID 18317494) is 7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one.
What is the SMILES notation for 7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one?
The canonical SMILES for 7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one is Cc1cnnc2c1C(=O)CC(c1cc(Cl)ccc1F)C2.
What is the InChIKey of 7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one?
The InChIKey is GIEXTFUJLANILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-8-7-18-19-13-4-9(5-14(20)15(8)13)11-6-10(16)2-3-12(11)17/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of 7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one?
7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one has a molecular weight of 290.73 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-fluorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-one is sourced from PubChem (CID 18317494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).