N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide

C22H20BrN3O2 — CID 100740921

IUPACN'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide
SMILESO=C(Nc1cccc2cccnc12)C(=O)NC1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C22H20BrN3O2/c23-17-10-8-16(9-11-17)22(12-1-2-13-22)26-21(28)20(27)25-18-7-3-5-15-6-4-14-24-19(15)18/h3-11,14H,1-2,12-13H2,(H,25,27)(H,26,28)
InChIKeyOYYVUSZRXPZBOZ-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.52
Rot. Bonds3

About N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide

N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide (PubChem CID 100740921) has the molecular formula C22H20BrN3O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide.

Molecular Properties

Compound NameN'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide
PubChem CID100740921
Molecular FormulaC22H20BrN3O2
Molecular Weight438.33 g/mol
Exact Mass437.07
IUPAC NameN'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide
SMILESO=C(Nc1cccc2cccnc12)C(=O)NC1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C22H20BrN3O2/c23-17-10-8-16(9-11-17)22(12-1-2-13-22)26-21(28)20(27)25-18-7-3-5-15-6-4-14-24-19(15)18/h3-11,14H,1-2,12-13H2,(H,25,27)(H,26,28)
InChIKeyOYYVUSZRXPZBOZ-UHFFFAOYSA-N
XLogP4.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-quinolin-8-ylcyclopentane-1-carboxamide
CID 17027296
N'-(2,5-dichlorophenyl)-N-quinolin-8-yloxamide
CID 108501076
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
CID 132555355
2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide
CID 132572979
N-(4-piperidin-1-ylphenyl)-N'-quinolin-8-yloxamide
CID 108527715
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
CID 24710942
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214114
1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide
CID 134022555

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide?
The IUPAC name of N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide (CID 100740921) is N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide.
What is the SMILES notation for N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide?
The canonical SMILES for N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide is O=C(Nc1cccc2cccnc12)C(=O)NC1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide?
The InChIKey is OYYVUSZRXPZBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3O2/c23-17-10-8-16(9-11-17)22(12-1-2-13-22)26-21(28)20(27)25-18-7-3-5-15-6-4-14-24-19(15)18/h3-11,14H,1-2,12-13H2,(H,25,27)(H,26,28).
What are the key properties of N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide?
N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide has a molecular weight of 438.33 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-bromophenyl)cyclopentyl]-N-quinolin-8-yloxamide is sourced from PubChem (CID 100740921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).