N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide

C22H21ClN2O2Se — CID 132548350

IUPACN-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide
SMILESCOc1cc(NC(=O)C2CCCC2)c2ncccc2c1[Se]c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O2Se/c1-27-19-13-18(25-22(26)14-5-2-3-6-14)20-17(7-4-12-24-20)21(19)28-16-10-8-15(23)9-11-16/h4,7-14H,2-3,5-6H2,1H3,(H,25,26)
InChIKeyAKGMHKZLQFZXNB-UHFFFAOYSA-N
MW459.84 g/mol
LogP3.68
Rot. Bonds5

About N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide

N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide (PubChem CID 132548350) has the molecular formula C22H21ClN2O2Se and a molecular weight of 459.84 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide
PubChem CID132548350
Molecular FormulaC22H21ClN2O2Se
Molecular Weight459.84 g/mol
Exact Mass460.05
IUPAC NameN-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide
SMILESCOc1cc(NC(=O)C2CCCC2)c2ncccc2c1[Se]c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O2Se/c1-27-19-13-18(25-22(26)14-5-2-3-6-14)20-17(7-4-12-24-20)21(19)28-16-10-8-15(23)9-11-16/h4,7-14H,2-3,5-6H2,1H3,(H,25,26)
InChIKeyAKGMHKZLQFZXNB-UHFFFAOYSA-N
XLogP3.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(6-methoxyquinolin-8-yl)cyclohexanecarboxamide
CID 684971
4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide
CID 14791088
[8-(cyclohexanecarbonylamino)quinolin-5-yl] acetate
CID 132937573
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
CID 47201915
(3S)-7-methoxy-N-(8-methoxyquinolin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050083
N-(2,4-dimethoxy-3-methylphenyl)cyclopentanecarboxamide
CID 110777847
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
N-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]cyclopentanecarboxamide
CID 7941987

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide (CID 132548350) is N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide is COc1cc(NC(=O)C2CCCC2)c2ncccc2c1[Se]c1ccc(Cl)cc1.
What is the InChIKey of N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide?
The InChIKey is AKGMHKZLQFZXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2Se/c1-27-19-13-18(25-22(26)14-5-2-3-6-14)20-17(7-4-12-24-20)21(19)28-16-10-8-15(23)9-11-16/h4,7-14H,2-3,5-6H2,1H3,(H,25,26).
What are the key properties of N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide?
N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide has a molecular weight of 459.84 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)selanyl-6-methoxyquinolin-8-yl]cyclopentanecarboxamide is sourced from PubChem (CID 132548350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).