N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide

C20H25ClN2O2 — CID 1459739

IUPACN-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1cc2cccc(C)c2nc1Cl)C1CCCCC1
InChIInChI=1S/C20H25ClN2O2/c1-14-7-6-8-15-11-16(20(21)22-19(14)15)12-23(18(24)13-25-2)17-9-4-3-5-10-17/h6-8,11,17H,3-5,9-10,12-13H2,1-2H3
InChIKeyYXLSOKZVDWNMQF-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.50
Rot. Bonds5

About N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide

N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide (PubChem CID 1459739) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide
PubChem CID1459739
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1cc2cccc(C)c2nc1Cl)C1CCCCC1
InChIInChI=1S/C20H25ClN2O2/c1-14-7-6-8-15-11-16(20(21)22-19(14)15)12-23(18(24)13-25-2)17-9-4-3-5-10-17/h6-8,11,17H,3-5,9-10,12-13H2,1-2H3
InChIKeyYXLSOKZVDWNMQF-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
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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Related Compounds

1-(2-Chloro-6,8-dimethyl-quinolin-3-ylmethyl)-1-(2-methoxy-ethyl)-3-phenyl-urea
CID 3216929
N-(2-Chloro-6-methyl-quinolin-3-ylmethyl)-2-methoxy-N-phenethyl-acetamide
CID 1459837
1-(2-Chloro-6-methyl-quinolin-3-ylmethyl)-1-(2-methoxy-ethyl)-3-o-tolyl-urea
CID 3216873
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide
CID 3216896
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide
CID 856829
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 3216943
1-[3-[(2-Chloro-8-methylquinolin-3-yl)methyl]-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 4290916
4-[(2-Chloro-6-methyl-3-quinolyl)methyl]morpholine
CID 53483322
N-[(1S)-1-(2-chloro-8-methylquinolin-3-yl)ethyl]-2,2,2-trifluoroacetamide
CID 87147770
N-[1-(2-chloro-8-methylquinolin-3-yl)ethyl]-2,2,2-trifluoroacetamide
CID 87147771
Tert-butyl-[(2-chloro-7-fluoro-8-methylquinolin-3-yl)methyl]carbamic acid
CID 87337537
butyl N-[1-(2-chloro-5-fluoro-8-methylquinolin-3-yl)ethyl]carbamate
CID 118893547

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide?
The IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide (CID 1459739) is N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide.
What is the SMILES notation for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide?
The canonical SMILES for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide is COCC(=O)N(Cc1cc2cccc(C)c2nc1Cl)C1CCCCC1.
What is the InChIKey of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide?
The InChIKey is YXLSOKZVDWNMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-14-7-6-8-15-11-16(20(21)22-19(14)15)12-23(18(24)13-25-2)17-9-4-3-5-10-17/h6-8,11,17H,3-5,9-10,12-13H2,1-2H3.
What are the key properties of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide?
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide has a molecular weight of 360.89 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-N-cyclohexyl-2-methoxyacetamide is sourced from PubChem (CID 1459739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).