N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide

C20H25ClN2O2 — CID 1459988

IUPACN-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide
SMILESCCOc1ccc2nc(Cl)c(CN(C(C)=O)C3CCCCC3)cc2c1
InChIInChI=1S/C20H25ClN2O2/c1-3-25-18-9-10-19-15(12-18)11-16(20(21)22-19)13-23(14(2)24)17-7-5-4-6-8-17/h9-12,17H,3-8,13H2,1-2H3
InChIKeyKJKUAPRAPCENRR-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.97
Rot. Bonds5

About N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide

N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide (PubChem CID 1459988) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide
PubChem CID1459988
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide
SMILESCCOc1ccc2nc(Cl)c(CN(C(C)=O)C3CCCCC3)cc2c1
InChIInChI=1S/C20H25ClN2O2/c1-3-25-18-9-10-19-15(12-18)11-16(20(21)22-19)13-23(14(2)24)17-7-5-4-6-8-17/h9-12,17H,3-8,13H2,1-2H3
InChIKeyKJKUAPRAPCENRR-UHFFFAOYSA-N
XLogP4.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide?
The IUPAC name of N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide (CID 1459988) is N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide.
What is the SMILES notation for N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide?
The canonical SMILES for N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide is CCOc1ccc2nc(Cl)c(CN(C(C)=O)C3CCCCC3)cc2c1.
What is the InChIKey of N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide?
The InChIKey is KJKUAPRAPCENRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-3-25-18-9-10-19-15(12-18)11-16(20(21)22-19)13-23(14(2)24)17-7-5-4-6-8-17/h9-12,17H,3-8,13H2,1-2H3.
What are the key properties of N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide?
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide has a molecular weight of 360.89 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-cyclohexylacetamide is sourced from PubChem (CID 1459988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).