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

C16H20ClN3O5 — CID 10809137

IUPAC(2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
SMILESCc1cc(N/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)nc2ccc(Cl)cc12
InChIInChI=1S/C16H20ClN3O5/c1-8-4-14(19-11-3-2-9(17)5-10(8)11)20-18-6-12(22)15(24)16(25)13(23)7-21/h2-6,12-13,15-16,21-25H,7H2,1H3,(H,19,20)/b18-6+/t12-,13+,15+,16-/m0/s1
InChIKeyGCEZXEJHWDXOSA-FBHLTALHSA-N
MW369.81 g/mol
LogP0.03
Rot. Bonds7

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

(2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol (PubChem CID 10809137) has the molecular formula C16H20ClN3O5 and a molecular weight of 369.81 g/mol. Its IUPAC name is (2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
PubChem CID10809137
Molecular FormulaC16H20ClN3O5
Molecular Weight369.81 g/mol
Exact Mass369.11
IUPAC Name(2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
SMILESCc1cc(N/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)nc2ccc(Cl)cc12
InChIInChI=1S/C16H20ClN3O5/c1-8-4-14(19-11-3-2-9(17)5-10(8)11)20-18-6-12(22)15(24)16(25)13(23)7-21/h2-6,12-13,15-16,21-25H,7H2,1H3,(H,19,20)/b18-6+/t12-,13+,15+,16-/m0/s1
InChIKeyGCEZXEJHWDXOSA-FBHLTALHSA-N
XLogP0.03
TPSA138.43 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.81
LogP ≤ 50.03
H-Bond Donors ≤ 56
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol (CID 10809137) is (2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol is Cc1cc(N/N=C/[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)nc2ccc(Cl)cc12.
What is the InChIKey of (2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
The InChIKey is GCEZXEJHWDXOSA-FBHLTALHSA-N. The full InChI is InChI=1S/C16H20ClN3O5/c1-8-4-14(19-11-3-2-9(17)5-10(8)11)20-18-6-12(22)15(24)16(25)13(23)7-21/h2-6,12-13,15-16,21-25H,7H2,1H3,(H,19,20)/b18-6+/t12-,13+,15+,16-/m0/s1.
What are the key properties of (2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol?
(2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol has a molecular weight of 369.81 g/mol, XLogP of 0.03, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6E)-6-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 10809137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).