N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide

C15H15N5O — CID 2981563

IUPACN-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2nccnc2c1
InChIInChI=1S/C15H15N5O/c21-15(19-4-1-8-20-9-7-16-11-20)12-2-3-13-14(10-12)18-6-5-17-13/h2-3,5-7,9-11H,1,4,8H2,(H,19,21)
InChIKeyJWICRJWTZKXHEN-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.65
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide

N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide (PubChem CID 2981563) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide
PubChem CID2981563
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccc2nccnc2c1
InChIInChI=1S/C15H15N5O/c21-15(19-4-1-8-20-9-7-16-11-20)12-2-3-13-14(10-12)18-6-5-17-13/h2-3,5-7,9-11H,1,4,8H2,(H,19,21)
InChIKeyJWICRJWTZKXHEN-UHFFFAOYSA-N
XLogP1.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dabigatran
CID 216210
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
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CID 446804
2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
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IN-1130
CID 11676119
N-[1-[(3R)-1-[(2E)-4-(Dimethylamino)-1-oxo-2-buten-1-yl]hexahydro-1H-azepin-3-yl]-7-methyl-1H-benzimidazol-2-yl]-2-methyl-4-pyridinecarboxamide
CID 72703989
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 44563111
N-(6-methyl-2-pyridinyl)-6-quinoxalinecarboxamide
CID 829895
2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
N-Quinolin-3-yl-3-tetrazol-1-yl-benzamide
CID 651603
2-(ethylureido)-N-methyl-5-(pyridine-3-yl)-1H-benzo[d]imidazole-7-carboxamide
CID 10427243

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide (CID 2981563) is N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide is O=C(NCCCn1ccnc1)c1ccc2nccnc2c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide?
The InChIKey is JWICRJWTZKXHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c21-15(19-4-1-8-20-9-7-16-11-20)12-2-3-13-14(10-12)18-6-5-17-13/h2-3,5-7,9-11H,1,4,8H2,(H,19,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide?
N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 2981563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).