cyclohepten-1-yl(quinoxalin-2-yl)methanone

C16H16N2O — CID 107356849

IUPACcyclohepten-1-yl(quinoxalin-2-yl)methanone
SMILESO=C(C1=CCCCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C16H16N2O/c19-16(12-7-3-1-2-4-8-12)15-11-17-13-9-5-6-10-14(13)18-15/h5-7,9-11H,1-4,8H2
InChIKeyRKKSTJSFWLQPDB-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.70
Rot. Bonds2

About cyclohepten-1-yl(quinoxalin-2-yl)methanone

cyclohepten-1-yl(quinoxalin-2-yl)methanone (PubChem CID 107356849) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is cyclohepten-1-yl(quinoxalin-2-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl(quinoxalin-2-yl)methanone
PubChem CID107356849
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Namecyclohepten-1-yl(quinoxalin-2-yl)methanone
SMILESO=C(C1=CCCCCC1)c1cnc2ccccc2n1
InChIInChI=1S/C16H16N2O/c19-16(12-7-3-1-2-4-8-12)15-11-17-13-9-5-6-10-14(13)18-15/h5-7,9-11H,1-4,8H2
InChIKeyRKKSTJSFWLQPDB-UHFFFAOYSA-N
XLogP3.70
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(quinoxalin-2-yl)methanone?
The IUPAC name of cyclohepten-1-yl(quinoxalin-2-yl)methanone (CID 107356849) is cyclohepten-1-yl(quinoxalin-2-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl(quinoxalin-2-yl)methanone?
The canonical SMILES for cyclohepten-1-yl(quinoxalin-2-yl)methanone is O=C(C1=CCCCCC1)c1cnc2ccccc2n1.
What is the InChIKey of cyclohepten-1-yl(quinoxalin-2-yl)methanone?
The InChIKey is RKKSTJSFWLQPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16(12-7-3-1-2-4-8-12)15-11-17-13-9-5-6-10-14(13)18-15/h5-7,9-11H,1-4,8H2.
What are the key properties of cyclohepten-1-yl(quinoxalin-2-yl)methanone?
cyclohepten-1-yl(quinoxalin-2-yl)methanone has a molecular weight of 252.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(quinoxalin-2-yl)methanone is sourced from PubChem (CID 107356849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).