5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron

C15H16BrN5O6 — CID 25137926

IUPAC5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron
SMILESBrc1c(NC2=NCCN2)ccc2nccnc12.O=C([O-])[C@@H](O)[C@H](O)C(=O)[O-].[H+].[H+]
InChIInChI=1S/C11H10BrN5.C4H6O6/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;5-1(3(7)8)2(6)4(9)10/h1-4H,5-6H2,(H2,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1
InChIKeyQZHBYNSSDLTCRG-WUUYCOTASA-N
MW442.23 g/mol
LogP-2.80
Rot. Bonds4

About 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron

5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron (PubChem CID 25137926) has the molecular formula C15H16BrN5O6 and a molecular weight of 442.23 g/mol. Its IUPAC name is 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron.

Molecular Properties

Compound Name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron
PubChem CID25137926
Molecular FormulaC15H16BrN5O6
Molecular Weight442.23 g/mol
Exact Mass441.03
IUPAC Name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron
SMILESBrc1c(NC2=NCCN2)ccc2nccnc12.O=C([O-])[C@@H](O)[C@H](O)C(=O)[O-].[H+].[H+]
InChIInChI=1S/C11H10BrN5.C4H6O6/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;5-1(3(7)8)2(6)4(9)10/h1-4H,5-6H2,(H2,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1
InChIKeyQZHBYNSSDLTCRG-WUUYCOTASA-N
XLogP-2.80
TPSA182.92 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.23
LogP ≤ 5-2.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Related Compounds

5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid
CID 56832504
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-phosphanylbenzene-1,4-diamine
CID 162089581
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
CID 3086326
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid
CID 90456028
5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine
CID 143031544
5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 101483266
4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine
CID 18379867
5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine
CID 59164147
methyl 2-[(5-bromoquinoxalin-6-yl)amino]propanoate
CID 112752675
N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 86008018
N-(5-bromoquinoxalin-6-yl)formamide
CID 130538213
N-(4-bromo-2,3-dimethylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 59922099

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron?
The IUPAC name of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron (CID 25137926) is 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron.
What is the SMILES notation for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron?
The canonical SMILES for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron is Brc1c(NC2=NCCN2)ccc2nccnc12.O=C([O-])[C@@H](O)[C@H](O)C(=O)[O-].[H+].[H+].
What is the InChIKey of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron?
The InChIKey is QZHBYNSSDLTCRG-WUUYCOTASA-N. The full InChI is InChI=1S/C11H10BrN5.C4H6O6/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;5-1(3(7)8)2(6)4(9)10/h1-4H,5-6H2,(H2,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1.
What are the key properties of 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron?
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron has a molecular weight of 442.23 g/mol, XLogP of -2.80, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron is sourced from PubChem (CID 25137926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).