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

C18H21ClN2O — CID 856829

IUPACN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide
SMILESCC(=O)N(Cc1cc2cc(C)ccc2nc1Cl)C1CCCC1
InChIInChI=1S/C18H21ClN2O/c1-12-7-8-17-14(9-12)10-15(18(19)20-17)11-21(13(2)22)16-5-3-4-6-16/h7-10,16H,3-6,11H2,1-2H3
InChIKeyJAPWWPOWPKHPPW-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.49
Rot. Bonds3

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

N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide (PubChem CID 856829) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide
PubChem CID856829
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide
SMILESCC(=O)N(Cc1cc2cc(C)ccc2nc1Cl)C1CCCC1
InChIInChI=1S/C18H21ClN2O/c1-12-7-8-17-14(9-12)10-15(18(19)20-17)11-21(13(2)22)16-5-3-4-6-16/h7-10,16H,3-6,11H2,1-2H3
InChIKeyJAPWWPOWPKHPPW-UHFFFAOYSA-N
XLogP4.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.49
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-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide?
The IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide (CID 856829) is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide.
What is the SMILES notation for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide?
The canonical SMILES for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide is CC(=O)N(Cc1cc2cc(C)ccc2nc1Cl)C1CCCC1.
What is the InChIKey of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide?
The InChIKey is JAPWWPOWPKHPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-12-7-8-17-14(9-12)10-15(18(19)20-17)11-21(13(2)22)16-5-3-4-6-16/h7-10,16H,3-6,11H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide?
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide has a molecular weight of 316.83 g/mol, XLogP of 4.49, 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-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide is sourced from PubChem (CID 856829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).