(2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol

C20H22N4O5 — CID 10572933

IUPAC(2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N/Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H22N4O5/c25-11-16(27)18(29)17(28)15(26)10-21-24-20-13-8-4-5-9-14(13)22-19(23-20)12-6-2-1-3-7-12/h1-10,15-18,25-29H,11H2,(H,22,23,24)/b21-10+/t15-,16+,17+,18-/m0/s1
InChIKeyRHXIRVRJLCISOY-USJVFQSZSA-N
MW398.42 g/mol
LogP0.13
Rot. Bonds8

About (2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol

(2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol (PubChem CID 10572933) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is (2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
PubChem CID10572933
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name(2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N/Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H22N4O5/c25-11-16(27)18(29)17(28)15(26)10-21-24-20-13-8-4-5-9-14(13)22-19(23-20)12-6-2-1-3-7-12/h1-10,15-18,25-29H,11H2,(H,22,23,24)/b21-10+/t15-,16+,17+,18-/m0/s1
InChIKeyRHXIRVRJLCISOY-USJVFQSZSA-N
XLogP0.13
TPSA151.32 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 50.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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,3R,5E)-5-[(3-phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol
CID 139229642
(2R,3R,4R,5R,6Z)-6-(phthalazin-1-ylhydrazinylidene)hexane-1,2,3,4,5-pentol
CID 93088153
3-ethyl-2-[(2E)-2-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]quinazolin-4-one
CID 11728249
2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol
CID 4014004
(2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate
CID 6926985
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
(4Z)-4-benzylidene-2-[(2E)-2-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]hydrazinyl]-1H-imidazol-5-one
CID 135467767
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol
CID 135549514
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
CID 11150616
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
(2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 10809137
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol (CID 10572933) is (2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol is OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N/Nc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
The InChIKey is RHXIRVRJLCISOY-USJVFQSZSA-N. The full InChI is InChI=1S/C20H22N4O5/c25-11-16(27)18(29)17(28)15(26)10-21-24-20-13-8-4-5-9-14(13)22-19(23-20)12-6-2-1-3-7-12/h1-10,15-18,25-29H,11H2,(H,22,23,24)/b21-10+/t15-,16+,17+,18-/m0/s1.
What are the key properties of (2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
(2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol has a molecular weight of 398.42 g/mol, XLogP of 0.13, 8 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 10572933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).