N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide

C19H23ClN2O — CID 1459902

IUPACN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide
SMILESCC(=O)N(Cc1cc2cc(C)cc(C)c2nc1Cl)C1CCCC1
InChIInChI=1S/C19H23ClN2O/c1-12-8-13(2)18-15(9-12)10-16(19(20)21-18)11-22(14(3)23)17-6-4-5-7-17/h8-10,17H,4-7,11H2,1-3H3
InChIKeyAAGCYCKMIVHKJF-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.80
Rot. Bonds3

About N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide

N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide (PubChem CID 1459902) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide
PubChem CID1459902
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide
SMILESCC(=O)N(Cc1cc2cc(C)cc(C)c2nc1Cl)C1CCCC1
InChIInChI=1S/C19H23ClN2O/c1-12-8-13(2)18-15(9-12)10-16(19(20)21-18)11-22(14(3)23)17-6-4-5-7-17/h8-10,17H,4-7,11H2,1-3H3
InChIKeyAAGCYCKMIVHKJF-UHFFFAOYSA-N
XLogP4.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide?
The IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide (CID 1459902) is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide.
What is the SMILES notation for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide?
The canonical SMILES for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide is CC(=O)N(Cc1cc2cc(C)cc(C)c2nc1Cl)C1CCCC1.
What is the InChIKey of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide?
The InChIKey is AAGCYCKMIVHKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-12-8-13(2)18-15(9-12)10-16(19(20)21-18)11-22(14(3)23)17-6-4-5-7-17/h8-10,17H,4-7,11H2,1-3H3.
What are the key properties of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide?
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide has a molecular weight of 330.86 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide is sourced from PubChem (CID 1459902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).