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

C17H17NO — CID 106651833

IUPACcyclohepten-1-yl(quinolin-2-yl)methanone
SMILESO=C(C1=CCCCCC1)c1ccc2ccccc2n1
InChIInChI=1S/C17H17NO/c19-17(14-8-3-1-2-4-9-14)16-12-11-13-7-5-6-10-15(13)18-16/h5-8,10-12H,1-4,9H2
InChIKeyUYTPMYREBCXUAE-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.31
Rot. Bonds2

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

cyclohepten-1-yl(quinolin-2-yl)methanone (PubChem CID 106651833) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is cyclohepten-1-yl(quinolin-2-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl(quinolin-2-yl)methanone
PubChem CID106651833
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Namecyclohepten-1-yl(quinolin-2-yl)methanone
SMILESO=C(C1=CCCCCC1)c1ccc2ccccc2n1
InChIInChI=1S/C17H17NO/c19-17(14-8-3-1-2-4-9-14)16-12-11-13-7-5-6-10-15(13)18-16/h5-8,10-12H,1-4,9H2
InChIKeyUYTPMYREBCXUAE-UHFFFAOYSA-N
XLogP4.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohepten-1-yl(quinoxalin-2-yl)methanone
CID 107356849
(4-aminoquinolin-2-yl)-(cyclohepten-1-yl)methanone
CID 106655642
1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone
CID 103450531
cyclohexen-1-yl(naphthalen-2-yl)methanone
CID 62078640
[(1E)-cycloocten-1-yl]-quinolin-4-ylmethanone
CID 106655937
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
tris(quinoline-2-carboxylate);ruthenium(3+)
CID 15777317
copper(1+);quinoline-2-carboxylate
CID 159046158
potassium;hydride;quinoline-2-carboxylic acid
CID 174828478
iridium(3+);tris(quinoline-2-carboxylate)
CID 161052613
quinoline-2-carboxamide;hydrobromide
CID 141009871

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(quinolin-2-yl)methanone?
The IUPAC name of cyclohepten-1-yl(quinolin-2-yl)methanone (CID 106651833) is cyclohepten-1-yl(quinolin-2-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl(quinolin-2-yl)methanone?
The canonical SMILES for cyclohepten-1-yl(quinolin-2-yl)methanone is O=C(C1=CCCCCC1)c1ccc2ccccc2n1.
What is the InChIKey of cyclohepten-1-yl(quinolin-2-yl)methanone?
The InChIKey is UYTPMYREBCXUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(14-8-3-1-2-4-9-14)16-12-11-13-7-5-6-10-15(13)18-16/h5-8,10-12H,1-4,9H2.
What are the key properties of cyclohepten-1-yl(quinolin-2-yl)methanone?
cyclohepten-1-yl(quinolin-2-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(quinolin-2-yl)methanone is sourced from PubChem (CID 106651833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).