2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol

C18H17N3O2 — CID 135676074

IUPAC2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol
SMILESCc1c(O)ccc(/C(Cc2ccc3ccccc3n2)=N\N)c1O
InChIInChI=1S/C18H17N3O2/c1-11-17(22)9-8-14(18(11)23)16(21-19)10-13-7-6-12-4-2-3-5-15(12)20-13/h2-9,22-23H,10,19H2,1H3/b21-16-
InChIKeyOEYGQMYNEWGXKZ-PGMHBOJBSA-N
MW307.35 g/mol
LogP2.86
Rot. Bonds3

About 2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol

2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol (PubChem CID 135676074) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol
PubChem CID135676074
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol
SMILESCc1c(O)ccc(/C(Cc2ccc3ccccc3n2)=N\N)c1O
InChIInChI=1S/C18H17N3O2/c1-11-17(22)9-8-14(18(11)23)16(21-19)10-13-7-6-12-4-2-3-5-15(12)20-13/h2-9,22-23H,10,19H2,1H3/b21-16-
InChIKeyOEYGQMYNEWGXKZ-PGMHBOJBSA-N
XLogP2.86
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.86
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

Acrisorcin
CID 24144
2-[2-(2-Quinolinyl)ethenyl]phenol
CID 2864430
2-(4-Hydroxy-phenyl)-quinolin-6-ol
CID 135987619
3-Acridinol
CID 135611794
2-(4-Hydroxyphenyl)-4-vinylquinolin-6-ol
CID 135409729
4-Ethyl-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135430317
Quininib
CID 135411330
4-[(E)-2-(quinolin-2-yl)ethenyl]phenol
CID 135408526
2-[(Z)-2-quinolin-2-ylethenyl]phenol
CID 136045796
4-[(2-Methyl-quinolin-4-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135468585
2-[2-(2,4-Dimethoxyphenyl)vinyl]quinoline
CID 5937428
4-Ethyl-2-(3-fluoro-4-hydroxy-phenyl)-quinolin-6-ol
CID 135409961

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol?
The IUPAC name of 2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol (CID 135676074) is 2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol.
What is the SMILES notation for 2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol?
The canonical SMILES for 2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol is Cc1c(O)ccc(/C(Cc2ccc3ccccc3n2)=N\N)c1O.
What is the InChIKey of 2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol?
The InChIKey is OEYGQMYNEWGXKZ-PGMHBOJBSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-17(22)9-8-14(18(11)23)16(21-19)10-13-7-6-12-4-2-3-5-15(12)20-13/h2-9,22-23H,10,19H2,1H3/b21-16-.
What are the key properties of 2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol?
2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol has a molecular weight of 307.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-quinolin-2-ylethanehydrazonoyl)benzene-1,3-diol is sourced from PubChem (CID 135676074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).