N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide

C26H36N2O3 — CID 24785892

IUPACN-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1c(=O)c(C2CCCCC2)cc2ccc(OC)cc21)C1CCCCC1
InChIInChI=1S/C26H36N2O3/c1-3-27(21-12-8-5-9-13-21)25(29)18-28-24-17-22(31-2)15-14-20(24)16-23(26(28)30)19-10-6-4-7-11-19/h14-17,19,21H,3-13,18H2,1-2H3
InChIKeyXYTKHUYNTUDJAD-UHFFFAOYSA-N
MW424.59 g/mol
LogP5.24
Rot. Bonds6

About N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide

N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide (PubChem CID 24785892) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide
PubChem CID24785892
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1c(=O)c(C2CCCCC2)cc2ccc(OC)cc21)C1CCCCC1
InChIInChI=1S/C26H36N2O3/c1-3-27(21-12-8-5-9-13-21)25(29)18-28-24-17-22(31-2)15-14-20(24)16-23(26(28)30)19-10-6-4-7-11-19/h14-17,19,21H,3-13,18H2,1-2H3
InChIKeyXYTKHUYNTUDJAD-UHFFFAOYSA-N
XLogP5.24
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide?
The IUPAC name of N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide (CID 24785892) is N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide is CCN(C(=O)Cn1c(=O)c(C2CCCCC2)cc2ccc(OC)cc21)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide?
The InChIKey is XYTKHUYNTUDJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-3-27(21-12-8-5-9-13-21)25(29)18-28-24-17-22(31-2)15-14-20(24)16-23(26(28)30)19-10-6-4-7-11-19/h14-17,19,21H,3-13,18H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide?
N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide has a molecular weight of 424.59 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 24785892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).