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

C18H19NO — CID 103450531

IUPAC1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2n1)C1=CCCCCC1
InChIInChI=1S/C18H19NO/c20-18(15-8-3-1-2-4-9-15)13-16-12-11-14-7-5-6-10-17(14)19-16/h5-8,10-12H,1-4,9,13H2
InChIKeyDEGURZKSROGCPF-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.24
Rot. Bonds3

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

1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone (PubChem CID 103450531) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone
PubChem CID103450531
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2n1)C1=CCCCCC1
InChIInChI=1S/C18H19NO/c20-18(15-8-3-1-2-4-9-15)13-16-12-11-14-7-5-6-10-17(14)19-16/h5-8,10-12H,1-4,9,13H2
InChIKeyDEGURZKSROGCPF-UHFFFAOYSA-N
XLogP4.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohepten-1-yl(quinolin-2-yl)methanone
CID 106651833
1,2-di(quinolin-2-yl)ethanone
CID 24973307
2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
CID 106655576
1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone
CID 116548351
1-(cyclohepten-1-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 103450602
1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103449933
1-(cyclopenten-1-yl)-2-naphthalen-1-ylethanone
CID 103447987
1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 62077966
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
1-quinolin-2-ylbut-3-en-2-one
CID 103453640
1-(cyclohepten-1-yl)-2-phenylsulfanylethanone
CID 106651892
N-cyclohexyl-2-quinolin-2-ylacetamide
CID 110464171

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone?
The IUPAC name of 1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone (CID 103450531) is 1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone is O=C(Cc1ccc2ccccc2n1)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone?
The InChIKey is DEGURZKSROGCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-18(15-8-3-1-2-4-9-15)13-16-12-11-14-7-5-6-10-17(14)19-16/h5-8,10-12H,1-4,9,13H2.
What are the key properties of 1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone?
1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone has a molecular weight of 265.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-quinolin-2-ylethanone is sourced from PubChem (CID 103450531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).