1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone

C21H27NO2 — CID 11324832

IUPAC1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone
SMILESCCc1cc2cc(C(=O)CC3CCC(OC)CC3)ccc2nc1C
InChIInChI=1S/C21H27NO2/c1-4-16-12-18-13-17(7-10-20(18)22-14(16)2)21(23)11-15-5-8-19(24-3)9-6-15/h7,10,12-13,15,19H,4-6,8-9,11H2,1-3H3
InChIKeyRHOPMSQZYZATJZ-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.88
Rot. Bonds5

About 1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone

1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone (PubChem CID 11324832) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone
PubChem CID11324832
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone
SMILESCCc1cc2cc(C(=O)CC3CCC(OC)CC3)ccc2nc1C
InChIInChI=1S/C21H27NO2/c1-4-16-12-18-13-17(7-10-20(18)22-14(16)2)21(23)11-15-5-8-19(24-3)9-6-15/h7,10,12-13,15,19H,4-6,8-9,11H2,1-3H3
InChIKeyRHOPMSQZYZATJZ-UHFFFAOYSA-N
XLogP4.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone?
The IUPAC name of 1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone (CID 11324832) is 1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone.
What is the SMILES notation for 1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone?
The canonical SMILES for 1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone is CCc1cc2cc(C(=O)CC3CCC(OC)CC3)ccc2nc1C.
What is the InChIKey of 1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone?
The InChIKey is RHOPMSQZYZATJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-16-12-18-13-17(7-10-20(18)22-14(16)2)21(23)11-15-5-8-19(24-3)9-6-15/h7,10,12-13,15,19H,4-6,8-9,11H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone?
1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone has a molecular weight of 325.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methylquinolin-6-yl)-2-(4-methoxycyclohexyl)ethanone is sourced from PubChem (CID 11324832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).