(4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone

C21H27NO2 — CID 71080673

IUPAC(4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone
SMILESCCc1cc2cc(C(=O)C3CCC(CC)CC3)ccc2nc1OC
InChIInChI=1S/C21H27NO2/c1-4-14-6-8-16(9-7-14)20(23)17-10-11-19-18(13-17)12-15(5-2)21(22-19)24-3/h10-14,16H,4-9H2,1-3H3
InChIKeyCPQQNOSQZOOPEL-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.20
Rot. Bonds5

About (4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone

(4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone (PubChem CID 71080673) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone
PubChem CID71080673
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone
SMILESCCc1cc2cc(C(=O)C3CCC(CC)CC3)ccc2nc1OC
InChIInChI=1S/C21H27NO2/c1-4-14-6-8-16(9-7-14)20(23)17-10-11-19-18(13-17)12-15(5-2)21(22-19)24-3/h10-14,16H,4-9H2,1-3H3
InChIKeyCPQQNOSQZOOPEL-UHFFFAOYSA-N
XLogP5.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone (CID 71080673) is (4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone is CCc1cc2cc(C(=O)C3CCC(CC)CC3)ccc2nc1OC.
What is the InChIKey of (4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone?
The InChIKey is CPQQNOSQZOOPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-14-6-8-16(9-7-14)20(23)17-10-11-19-18(13-17)12-15(5-2)21(22-19)24-3/h10-14,16H,4-9H2,1-3H3.
What are the key properties of (4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone?
(4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone has a molecular weight of 325.45 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone is sourced from PubChem (CID 71080673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).