N-benzyl-5-bromoquinoxalin-6-amine

C15H12BrN3 — CID 130538129

IUPACN-benzyl-5-bromoquinoxalin-6-amine
SMILESBrc1c(NCc2ccccc2)ccc2nccnc12
InChIInChI=1S/C15H12BrN3/c16-14-12(19-10-11-4-2-1-3-5-11)6-7-13-15(14)18-9-8-17-13/h1-9,19H,10H2
InChIKeyDRAHNIMLXGUEDG-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.00
Rot. Bonds3

About N-benzyl-5-bromoquinoxalin-6-amine

N-benzyl-5-bromoquinoxalin-6-amine (PubChem CID 130538129) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is N-benzyl-5-bromoquinoxalin-6-amine.

Molecular Properties

Compound NameN-benzyl-5-bromoquinoxalin-6-amine
PubChem CID130538129
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC NameN-benzyl-5-bromoquinoxalin-6-amine
SMILESBrc1c(NCc2ccccc2)ccc2nccnc12
InChIInChI=1S/C15H12BrN3/c16-14-12(19-10-11-4-2-1-3-5-11)6-7-13-15(14)18-9-8-17-13/h1-9,19H,10H2
InChIKeyDRAHNIMLXGUEDG-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-1,5-naphthyridine-2,4-diamine
CID 91308709
(5-bromoquinoxalin-6-yl)cyanamide
CID 23223848
N-(5-bromoquinoxalin-6-yl)formamide
CID 130538213
1-(2-aminoethyl)-3-(5-bromoquinoxalin-6-yl)thiourea
CID 15020843
N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine
CID 167114641
N-benzyl-2-bromo-3-chloroaniline
CID 103477865
5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine
CID 59164147
4-N-benzyl-1,5-naphthyridine-3,4-diamine
CID 91584152
3-N-benzyl-6-bromopyridine-2,3-diamine
CID 121384108
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
1-N,4-N-dibenzylnaphthalene-1,4-diamine
CID 139621317
N-benzyl-3-bromopyridin-2-amine
CID 11708714

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromoquinoxalin-6-amine?
The IUPAC name of N-benzyl-5-bromoquinoxalin-6-amine (CID 130538129) is N-benzyl-5-bromoquinoxalin-6-amine.
What is the SMILES notation for N-benzyl-5-bromoquinoxalin-6-amine?
The canonical SMILES for N-benzyl-5-bromoquinoxalin-6-amine is Brc1c(NCc2ccccc2)ccc2nccnc12.
What is the InChIKey of N-benzyl-5-bromoquinoxalin-6-amine?
The InChIKey is DRAHNIMLXGUEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-14-12(19-10-11-4-2-1-3-5-11)6-7-13-15(14)18-9-8-17-13/h1-9,19H,10H2.
What are the key properties of N-benzyl-5-bromoquinoxalin-6-amine?
N-benzyl-5-bromoquinoxalin-6-amine has a molecular weight of 314.19 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromoquinoxalin-6-amine is sourced from PubChem (CID 130538129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).