2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone

C18H19NO — CID 103457814

IUPAC2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone
SMILESCc1ccc2cc(C(=O)C=C3CCCCC3)ccc2n1
InChIInChI=1S/C18H19NO/c1-13-7-8-15-12-16(9-10-17(15)19-13)18(20)11-14-5-3-2-4-6-14/h7-12H,2-6H2,1H3
InChIKeyLTCHMVYPEGVMOM-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.62
Rot. Bonds2

About 2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone

2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone (PubChem CID 103457814) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone
PubChem CID103457814
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone
SMILESCc1ccc2cc(C(=O)C=C3CCCCC3)ccc2n1
InChIInChI=1S/C18H19NO/c1-13-7-8-15-12-16(9-10-17(15)19-13)18(20)11-14-5-3-2-4-6-14/h7-12H,2-6H2,1H3
InChIKeyLTCHMVYPEGVMOM-UHFFFAOYSA-N
XLogP4.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-methyl-1-(2-methylquinolin-6-yl)propan-1-one
CID 103446086
2-(cyclohexen-1-yl)-1-(2-methylquinolin-6-yl)ethanone
CID 116659682
(4-iodophenyl)-(2-methylquinolin-6-yl)methanone
CID 115790394
2-amino-1-(2-methylquinolin-6-yl)propan-1-one
CID 116551720
(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684
[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116600622
2,2-dimethoxy-1-(2-methylquinolin-6-yl)ethanone
CID 81220955
propan-2-yl 2-methylquinoline-6-carboxylate
CID 67977912
2-(1-aminocyclohexyl)-1-(2-methylquinolin-6-yl)ethanone
CID 116578986
(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone
CID 116595188
2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
CID 103168015
2-(2-methylquinolin-6-yl)acetaldehyde
CID 81224774

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone?
The IUPAC name of 2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone (CID 103457814) is 2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone.
What is the SMILES notation for 2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone?
The canonical SMILES for 2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone is Cc1ccc2cc(C(=O)C=C3CCCCC3)ccc2n1.
What is the InChIKey of 2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone?
The InChIKey is LTCHMVYPEGVMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-7-8-15-12-16(9-10-17(15)19-13)18(20)11-14-5-3-2-4-6-14/h7-12H,2-6H2,1H3.
What are the key properties of 2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone?
2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone has a molecular weight of 265.36 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-1-(2-methylquinolin-6-yl)ethanone is sourced from PubChem (CID 103457814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).