N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide

C19H23ClN2O2 — CID 856832

IUPACN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1cc2cc(C)ccc2nc1Cl)C1CCCC1
InChIInChI=1S/C19H23ClN2O2/c1-13-7-8-17-14(9-13)10-15(19(20)21-17)11-22(18(23)12-24-2)16-5-3-4-6-16/h7-10,16H,3-6,11-12H2,1-2H3
InChIKeyWXLMFMCYRWXYLD-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.11
Rot. Bonds5

About N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide

N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide (PubChem CID 856832) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide
PubChem CID856832
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1cc2cc(C)ccc2nc1Cl)C1CCCC1
InChIInChI=1S/C19H23ClN2O2/c1-13-7-8-17-14(9-13)10-15(19(20)21-17)11-22(18(23)12-24-2)16-5-3-4-6-16/h7-10,16H,3-6,11-12H2,1-2H3
InChIKeyWXLMFMCYRWXYLD-UHFFFAOYSA-N
XLogP4.11
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.11
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-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide?
The IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide (CID 856832) is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide.
What is the SMILES notation for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide?
The canonical SMILES for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide is COCC(=O)N(Cc1cc2cc(C)ccc2nc1Cl)C1CCCC1.
What is the InChIKey of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide?
The InChIKey is WXLMFMCYRWXYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13-7-8-17-14(9-13)10-15(19(20)21-17)11-22(18(23)12-24-2)16-5-3-4-6-16/h7-10,16H,3-6,11-12H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide?
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide has a molecular weight of 346.86 g/mol, XLogP of 4.11, 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-methylquinolin-3-yl)methyl]-N-cyclopentyl-2-methoxyacetamide is sourced from PubChem (CID 856832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).