2-(2-methylquinolin-6-yl)cyclohexan-1-one

C16H17NO — CID 81223748

IUPAC2-(2-methylquinolin-6-yl)cyclohexan-1-one
SMILESCc1ccc2cc(C3CCCCC3=O)ccc2n1
InChIInChI=1S/C16H17NO/c1-11-6-7-13-10-12(8-9-15(13)17-11)14-4-2-3-5-16(14)18/h6-10,14H,2-5H2,1H3
InChIKeyWEWJWEHIRMODQP-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.77
Rot. Bonds1

About 2-(2-methylquinolin-6-yl)cyclohexan-1-one

2-(2-methylquinolin-6-yl)cyclohexan-1-one (PubChem CID 81223748) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-methylquinolin-6-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-methylquinolin-6-yl)cyclohexan-1-one
PubChem CID81223748
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(2-methylquinolin-6-yl)cyclohexan-1-one
SMILESCc1ccc2cc(C3CCCCC3=O)ccc2n1
InChIInChI=1S/C16H17NO/c1-11-6-7-13-10-12(8-9-15(13)17-11)14-4-2-3-5-16(14)18/h6-10,14H,2-5H2,1H3
InChIKeyWEWJWEHIRMODQP-UHFFFAOYSA-N
XLogP3.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-6-yl)cyclohexan-1-one?
The IUPAC name of 2-(2-methylquinolin-6-yl)cyclohexan-1-one (CID 81223748) is 2-(2-methylquinolin-6-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-methylquinolin-6-yl)cyclohexan-1-one?
The canonical SMILES for 2-(2-methylquinolin-6-yl)cyclohexan-1-one is Cc1ccc2cc(C3CCCCC3=O)ccc2n1.
What is the InChIKey of 2-(2-methylquinolin-6-yl)cyclohexan-1-one?
The InChIKey is WEWJWEHIRMODQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-6-7-13-10-12(8-9-15(13)17-11)14-4-2-3-5-16(14)18/h6-10,14H,2-5H2,1H3.
What are the key properties of 2-(2-methylquinolin-6-yl)cyclohexan-1-one?
2-(2-methylquinolin-6-yl)cyclohexan-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-6-yl)cyclohexan-1-one is sourced from PubChem (CID 81223748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).