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

C20H25NO3 — CID 10245890

IUPAC(3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone
SMILESCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1OC
InChIInChI=1S/C20H25NO3/c1-4-13-11-16-12-15(7-10-18(16)21-20(13)24-3)19(22)14-5-8-17(23-2)9-6-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3
InChIKeyIOCYQQQCJYMWDT-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.19
Rot. Bonds5

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

(3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone (PubChem CID 10245890) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name(3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone
PubChem CID10245890
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone
SMILESCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1OC
InChIInChI=1S/C20H25NO3/c1-4-13-11-16-12-15(7-10-18(16)21-20(13)24-3)19(22)14-5-8-17(23-2)9-6-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3
InChIKeyIOCYQQQCJYMWDT-UHFFFAOYSA-N
XLogP4.19
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
The IUPAC name of (3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone (CID 10245890) is (3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone.
What is the SMILES notation for (3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
The canonical SMILES for (3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone is CCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1OC.
What is the InChIKey of (3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
The InChIKey is IOCYQQQCJYMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-13-11-16-12-15(7-10-18(16)21-20(13)24-3)19(22)14-5-8-17(23-2)9-6-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3.
What are the key properties of (3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
(3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone has a molecular weight of 327.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-methoxyquinolin-6-yl)-(4-methoxycyclohexyl)methanone is sourced from PubChem (CID 10245890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).