N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide

C15H18ClN3O — CID 106354926

IUPACN-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide
SMILESCC(C)C(CCCl)NC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H18ClN3O/c1-10(2)12(5-6-16)19-15(20)11-3-4-13-14(9-11)18-8-7-17-13/h3-4,7-10,12H,5-6H2,1-2H3,(H,19,20)
InChIKeyRRENCECZPZOSJU-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.01
Rot. Bonds5

About N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide

N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide (PubChem CID 106354926) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide
PubChem CID106354926
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide
SMILESCC(C)C(CCCl)NC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C15H18ClN3O/c1-10(2)12(5-6-16)19-15(20)11-3-4-13-14(9-11)18-8-7-17-13/h3-4,7-10,12H,5-6H2,1-2H3,(H,19,20)
InChIKeyRRENCECZPZOSJU-UHFFFAOYSA-N
XLogP3.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-4-methylpentan-3-yl)-3,4-dihydroxybenzamide
CID 106354668
N-(1-chloro-4-methylpentan-3-yl)-3,4-dimethylbenzamide
CID 114177722
(2R)-3-methyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 79010985
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-4-iodobenzamide
CID 106354755
N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide
CID 106354809
N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide
CID 114177682
(2S,3R)-3-hydroxy-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 104964409
2-(quinoxaline-6-carbonylamino)pentanoic acid
CID 62849348
3-bromo-N-(1-chloro-4-methylpentan-3-yl)-4-methoxybenzamide
CID 106354988
3,3-dimethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 62849345
(2R)-3,3-dimethyl-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 94881678
N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
CID 79252072

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide (CID 106354926) is N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide is CC(C)C(CCCl)NC(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide?
The InChIKey is RRENCECZPZOSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10(2)12(5-6-16)19-15(20)11-3-4-13-14(9-11)18-8-7-17-13/h3-4,7-10,12H,5-6H2,1-2H3,(H,19,20).
What are the key properties of N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide?
N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-3-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 106354926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).