N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine

C16H16N4O — CID 167114641

IUPACN-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine
SMILESONCc1ccc(CNc2cccc3nccnc23)cc1
InChIInChI=1S/C16H16N4O/c21-20-11-13-6-4-12(5-7-13)10-19-15-3-1-2-14-16(15)18-9-8-17-14/h1-9,19-21H,10-11H2
InChIKeyTVJREKXIJPFVDB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.72
Rot. Bonds5

About N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine

N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine (PubChem CID 167114641) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine
PubChem CID167114641
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine
SMILESONCc1ccc(CNc2cccc3nccnc23)cc1
InChIInChI=1S/C16H16N4O/c21-20-11-13-6-4-12(5-7-13)10-19-15-3-1-2-14-16(15)18-9-8-17-14/h1-9,19-21H,10-11H2
InChIKeyTVJREKXIJPFVDB-UHFFFAOYSA-N
XLogP2.72
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine
CID 171682062
N-benzyl-5-bromoquinoxalin-6-amine
CID 130538129
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991
2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine
CID 118634341
N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
5-(sulfinatoamino)quinoxaline
CID 91575411
N-[(3-fluoro-4-methylphenyl)methyl]quinolin-8-amine
CID 63647013
N-[(4-heptylphenyl)methyl]quinolin-8-amine
CID 71429498
4-N-benzyl-1,5-naphthyridine-2,4-diamine
CID 91308709
4-[[(8-methylquinolin-5-yl)amino]methyl]phenol
CID 43731510
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine (CID 167114641) is N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine is ONCc1ccc(CNc2cccc3nccnc23)cc1.
What is the InChIKey of N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine?
The InChIKey is TVJREKXIJPFVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-20-11-13-6-4-12(5-7-13)10-19-15-3-1-2-14-16(15)18-9-8-17-14/h1-9,19-21H,10-11H2.
What are the key properties of N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine?
N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine has a molecular weight of 280.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine is sourced from PubChem (CID 167114641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).