4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol

C18H17N3O2 — CID 135801883

IUPAC4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol
SMILESCc1ccc2nc(/C(=N/N)c3ccc(O)cc3O)cc(C)c2c1
InChIInChI=1S/C18H17N3O2/c1-10-3-6-15-14(7-10)11(2)8-16(20-15)18(21-19)13-5-4-12(22)9-17(13)23/h3-9,22-23H,19H2,1-2H3/b21-18+
InChIKeyDGURYMFBNVIWHS-DYTRJAOYSA-N
MW307.35 g/mol
LogP2.97
Rot. Bonds2

About 4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol

4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol (PubChem CID 135801883) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol
PubChem CID135801883
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol
SMILESCc1ccc2nc(/C(=N/N)c3ccc(O)cc3O)cc(C)c2c1
InChIInChI=1S/C18H17N3O2/c1-10-3-6-15-14(7-10)11(2)8-16(20-15)18(21-19)13-5-4-12(22)9-17(13)23/h3-9,22-23H,19H2,1-2H3/b21-18+
InChIKeyDGURYMFBNVIWHS-DYTRJAOYSA-N
XLogP2.97
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-C-(4-methylquinolin-2-yl)carbonohydrazonoyl]benzene-1,2-diol
CID 135801880
4,6-dimethyl-2-methylsulfanylquinoline
CID 11499416
4-[(E)-C-(2,4,6-trichlorophenyl)carbonohydrazonoyl]benzene-1,3-diol
CID 135801844
7-methylphenazin-2-ol
CID 135430298
N-(2,4-dimethylphenyl)-1-(4,6-dimethylquinolin-2-yl)methanimine
CID 139065143
2-(4,6-dimethylquinolin-2-yl)sulfanylacetonitrile
CID 43840430
2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135460269
2-[(E)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135407116
4,6-dimethyl-2-(trifluoromethyl)quinoline
CID 70809225
4,6-dimethylnaphthalen-2-ol
CID 56931272
4-chloro-6-methylquinoline-2-carboxamide
CID 14991372
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7870764

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol (CID 135801883) is 4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol is Cc1ccc2nc(/C(=N/N)c3ccc(O)cc3O)cc(C)c2c1.
What is the InChIKey of 4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol?
The InChIKey is DGURYMFBNVIWHS-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-10-3-6-15-14(7-10)11(2)8-16(20-15)18(21-19)13-5-4-12(22)9-17(13)23/h3-9,22-23H,19H2,1-2H3/b21-18+.
What are the key properties of 4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol?
4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol has a molecular weight of 307.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-(4,6-dimethylquinolin-2-yl)carbonohydrazonoyl]benzene-1,3-diol is sourced from PubChem (CID 135801883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).