N-(4-aminopentyl)quinoxaline-6-carboxamide

C14H18N4O — CID 106122838

IUPACN-(4-aminopentyl)quinoxaline-6-carboxamide
SMILESCC(N)CCCNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C14H18N4O/c1-10(15)3-2-6-18-14(19)11-4-5-12-13(9-11)17-8-7-16-12/h4-5,7-10H,2-3,6,15H2,1H3,(H,18,19)
InChIKeyMVMTYJYFQFVEAZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.49
Rot. Bonds5

About N-(4-aminopentyl)quinoxaline-6-carboxamide

N-(4-aminopentyl)quinoxaline-6-carboxamide (PubChem CID 106122838) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-aminopentyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-aminopentyl)quinoxaline-6-carboxamide
PubChem CID106122838
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(4-aminopentyl)quinoxaline-6-carboxamide
SMILESCC(N)CCCNC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C14H18N4O/c1-10(15)3-2-6-18-14(19)11-4-5-12-13(9-11)17-8-7-16-12/h4-5,7-10H,2-3,6,15H2,1H3,(H,18,19)
InChIKeyMVMTYJYFQFVEAZ-UHFFFAOYSA-N
XLogP1.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)quinoxaline-6-carboxamide
CID 62874705
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
CID 64541023
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
N-(4-aminopentyl)-4-tert-butylbenzamide
CID 106122499
N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide
CID 77036760
N-(4-aminopentyl)-3,5-dimethylbenzamide
CID 114146406
4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid
CID 82012991
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
methyl 2-iodo-3-(quinoxaline-6-carbonylamino)propanoate
CID 103493378
N-(2-methylpropoxy)quinoxaline-6-carboxamide
CID 113304462

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(4-aminopentyl)quinoxaline-6-carboxamide (CID 106122838) is N-(4-aminopentyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-aminopentyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(4-aminopentyl)quinoxaline-6-carboxamide is CC(N)CCCNC(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(4-aminopentyl)quinoxaline-6-carboxamide?
The InChIKey is MVMTYJYFQFVEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(15)3-2-6-18-14(19)11-4-5-12-13(9-11)17-8-7-16-12/h4-5,7-10H,2-3,6,15H2,1H3,(H,18,19).
What are the key properties of N-(4-aminopentyl)quinoxaline-6-carboxamide?
N-(4-aminopentyl)quinoxaline-6-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 106122838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).