N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide

C14H17N5O2 — CID 77036760

IUPACN-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide
SMILESNC(CCCCNC(=O)c1ccc2nccnc2c1)=NO
InChIInChI=1S/C14H17N5O2/c15-13(19-21)3-1-2-6-18-14(20)10-4-5-11-12(9-10)17-8-7-16-11/h4-5,7-9,21H,1-3,6H2,(H2,15,19)(H,18,20)
InChIKeyFAQCTFDTHNAKRU-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.28
Rot. Bonds6

About N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide

N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide (PubChem CID 77036760) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide
PubChem CID77036760
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide
SMILESNC(CCCCNC(=O)c1ccc2nccnc2c1)=NO
InChIInChI=1S/C14H17N5O2/c15-13(19-21)3-1-2-6-18-14(20)10-4-5-11-12(9-10)17-8-7-16-11/h4-5,7-9,21H,1-3,6H2,(H2,15,19)(H,18,20)
InChIKeyFAQCTFDTHNAKRU-UHFFFAOYSA-N
XLogP1.28
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912
N-(3-bromopropyl)quinoxaline-6-carboxamide
CID 62874705
N-(5-amino-5-hydroxyiminopentyl)-3,4,5-trifluorobenzamide
CID 77036928
N-(4-aminopentyl)quinoxaline-6-carboxamide
CID 106122838
N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide
CID 79733246
N-(4-amino-4-hydroxyiminobutyl)pyridine-3-carboxamide
CID 76947453
N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114039851
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
N-(5-amino-5-hydroxyiminopentyl)-4-(difluoromethoxy)benzamide
CID 77036856
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
N-(5-amino-5-hydroxyiminopentyl)-5-bromopyridine-2-carboxamide
CID 77036604
N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide
CID 77026876

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide (CID 77036760) is N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide is NC(CCCCNC(=O)c1ccc2nccnc2c1)=NO.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide?
The InChIKey is FAQCTFDTHNAKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-13(19-21)3-1-2-6-18-14(20)10-4-5-11-12(9-10)17-8-7-16-11/h4-5,7-9,21H,1-3,6H2,(H2,15,19)(H,18,20).
What are the key properties of N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide?
N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 77036760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).