(2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol

C19H20N4O4 — CID 139229642

IUPAC(2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@H](O)C(O)/C=N/Nc1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C19H20N4O4/c24-11-16(26)18(27)15(25)10-20-23-19-17(12-6-2-1-3-7-12)21-13-8-4-5-9-14(13)22-19/h1-10,15-16,18,24-27H,11H2,(H,22,23)/b20-10+/t15?,16-,18-/m1/s1
InChIKeyXTHMAXOETJHZRF-KSTBAHLCSA-N
MW368.39 g/mol
LogP0.77
Rot. Bonds7

About (2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol

(2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol (PubChem CID 139229642) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol
PubChem CID139229642
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name(2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@H](O)C(O)/C=N/Nc1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C19H20N4O4/c24-11-16(26)18(27)15(25)10-20-23-19-17(12-6-2-1-3-7-12)21-13-8-4-5-9-14(13)22-19/h1-10,15-16,18,24-27H,11H2,(H,22,23)/b20-10+/t15?,16-,18-/m1/s1
InChIKeyXTHMAXOETJHZRF-KSTBAHLCSA-N
XLogP0.77
TPSA131.09 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 10572933
(2R,3R,4R,5R,6Z)-6-(phthalazin-1-ylhydrazinylidene)hexane-1,2,3,4,5-pentol
CID 93088153
6-naphthalen-2-yl-2-[(2E)-2-[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-4-phenylpyridine-3-carbonitrile
CID 72694814
3-phenyl-N-(4-phenylphenyl)quinoxalin-2-amine
CID 166918238
3-ethyl-2-[(2E)-2-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]quinazolin-4-one
CID 11728249
(4Z)-4-benzylidene-2-[(2Z)-2-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one
CID 136843378
(2R,3R,4R,5S,6E)-6-[[6-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]pyridazin-3-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 42630942
(4Z)-4-benzylidene-2-[(2E)-2-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-1H-imidazol-5-one
CID 135467767
(2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 10809137
(2R,3S,4R,5S)-6-[(2,4-dichlorophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 131887644
(2R,3S,4R,5S,6E)-6-[(2,4-dibromophenyl)hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 121011399
(2R,3S)-4-phenyliminobutane-1,2,3-triol
CID 98079118

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol (CID 139229642) is (2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol is OC[C@@H](O)[C@H](O)C(O)/C=N/Nc1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of (2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol?
The InChIKey is XTHMAXOETJHZRF-KSTBAHLCSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-11-16(26)18(27)15(25)10-20-23-19-17(12-6-2-1-3-7-12)21-13-8-4-5-9-14(13)22-19/h1-10,15-16,18,24-27H,11H2,(H,22,23)/b20-10+/t15?,16-,18-/m1/s1.
What are the key properties of (2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol?
(2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol has a molecular weight of 368.39 g/mol, XLogP of 0.77, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol is sourced from PubChem (CID 139229642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).