1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one

C24H36N2O2 — CID 42599072

IUPAC1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one
SMILESCCOC1CCC(C)(N2CCC(N3C(=O)CCc4ccc(C)cc43)CC2)CC1
InChIInChI=1S/C24H36N2O2/c1-4-28-21-9-13-24(3,14-10-21)25-15-11-20(12-16-25)26-22-17-18(2)5-6-19(22)7-8-23(26)27/h5-6,17,20-21H,4,7-16H2,1-3H3
InChIKeyFMYZQFPFFMBAHD-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.48
Rot. Bonds4

About 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one

1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one (PubChem CID 42599072) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one
PubChem CID42599072
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one
SMILESCCOC1CCC(C)(N2CCC(N3C(=O)CCc4ccc(C)cc43)CC2)CC1
InChIInChI=1S/C24H36N2O2/c1-4-28-21-9-13-24(3,14-10-21)25-15-11-20(12-16-25)26-22-17-18(2)5-6-19(22)7-8-23(26)27/h5-6,17,20-21H,4,7-16H2,1-3H3
InChIKeyFMYZQFPFFMBAHD-UHFFFAOYSA-N
XLogP4.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one (CID 42599072) is 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one is CCOC1CCC(C)(N2CCC(N3C(=O)CCc4ccc(C)cc43)CC2)CC1.
What is the InChIKey of 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is FMYZQFPFFMBAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-4-28-21-9-13-24(3,14-10-21)25-15-11-20(12-16-25)26-22-17-18(2)5-6-19(22)7-8-23(26)27/h5-6,17,20-21H,4,7-16H2,1-3H3.
What are the key properties of 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one?
1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 384.56 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-7-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 42599072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).