(3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone

C19H23NO2 — CID 11220222

IUPAC(3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone
SMILESCCc1cnc2ccc(C(=O)C3CCC(OC)CC3)cc2c1
InChIInChI=1S/C19H23NO2/c1-3-13-10-16-11-15(6-9-18(16)20-12-13)19(21)14-4-7-17(22-2)8-5-14/h6,9-12,14,17H,3-5,7-8H2,1-2H3
InChIKeyYBBSHUFNOQZMBG-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.19
Rot. Bonds4

About (3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone

(3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone (PubChem CID 11220222) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name(3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone
PubChem CID11220222
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone
SMILESCCc1cnc2ccc(C(=O)C3CCC(OC)CC3)cc2c1
InChIInChI=1S/C19H23NO2/c1-3-13-10-16-11-15(6-9-18(16)20-12-13)19(21)14-4-7-17(22-2)8-5-14/h6,9-12,14,17H,3-5,7-8H2,1-2H3
InChIKeyYBBSHUFNOQZMBG-UHFFFAOYSA-N
XLogP4.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
The IUPAC name of (3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone (CID 11220222) is (3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone.
What is the SMILES notation for (3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
The canonical SMILES for (3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone is CCc1cnc2ccc(C(=O)C3CCC(OC)CC3)cc2c1.
What is the InChIKey of (3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
The InChIKey is YBBSHUFNOQZMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-13-10-16-11-15(6-9-18(16)20-12-13)19(21)14-4-7-17(22-2)8-5-14/h6,9-12,14,17H,3-5,7-8H2,1-2H3.
What are the key properties of (3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
(3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone has a molecular weight of 297.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone is sourced from PubChem (CID 11220222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).