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

C20H23ClN2O — CID 856830

IUPACN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide
SMILESCc1ccc2nc(Cl)c(CN(C(=O)C3CC3)C3CCCC3)cc2c1
InChIInChI=1S/C20H23ClN2O/c1-13-6-9-18-15(10-13)11-16(19(21)22-18)12-23(17-4-2-3-5-17)20(24)14-7-8-14/h6,9-11,14,17H,2-5,7-8,12H2,1H3
InChIKeyPYWWXZUKUHJKTP-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.88
Rot. Bonds4

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

N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide (PubChem CID 856830) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide
PubChem CID856830
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide
SMILESCc1ccc2nc(Cl)c(CN(C(=O)C3CC3)C3CCCC3)cc2c1
InChIInChI=1S/C20H23ClN2O/c1-13-6-9-18-15(10-13)11-16(19(21)22-18)12-23(17-4-2-3-5-17)20(24)14-7-8-14/h6,9-11,14,17H,2-5,7-8,12H2,1H3
InChIKeyPYWWXZUKUHJKTP-UHFFFAOYSA-N
XLogP4.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.88
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-cyclopentylcyclopropanecarboxamide?
The IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide (CID 856830) is N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide.
What is the SMILES notation for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide?
The canonical SMILES for N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide is Cc1ccc2nc(Cl)c(CN(C(=O)C3CC3)C3CCCC3)cc2c1.
What is the InChIKey of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide?
The InChIKey is PYWWXZUKUHJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-13-6-9-18-15(10-13)11-16(19(21)22-18)12-23(17-4-2-3-5-17)20(24)14-7-8-14/h6,9-11,14,17H,2-5,7-8,12H2,1H3.
What are the key properties of N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide?
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylcyclopropanecarboxamide has a molecular weight of 342.87 g/mol, XLogP of 4.88, 4 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-cyclopentylcyclopropanecarboxamide is sourced from PubChem (CID 856830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).