(3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one

C18H12N4O — CID 135676256

IUPAC(3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N\N=C\c1ccc2ncccc2c1
InChIInChI=1S/C18H12N4O/c23-18-17(14-5-1-2-6-16(14)21-18)22-20-11-12-7-8-15-13(10-12)4-3-9-19-15/h1-11H,(H,21,22,23)/b20-11+
InChIKeyFZHJLACXJBMVRQ-RGVLZGJSSA-N
MW300.32 g/mol
LogP3.01
Rot. Bonds2

About (3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one

(3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one (PubChem CID 135676256) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is (3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one
PubChem CID135676256
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name(3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N\N=C\c1ccc2ncccc2c1
InChIInChI=1S/C18H12N4O/c23-18-17(14-5-1-2-6-16(14)21-18)22-20-11-12-7-8-15-13(10-12)4-3-9-19-15/h1-11H,(H,21,22,23)/b20-11+
InChIKeyFZHJLACXJBMVRQ-RGVLZGJSSA-N
XLogP3.01
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135445848
3-[(4-bromophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135521060
(3Z)-3-[(E)-[3,4-bis(phenylmethoxy)phenyl]methylidenehydrazinylidene]-1H-indol-2-one
CID 162787009
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
(3Z)-3-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135603924
3-[(2-fluorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135537355
N-[4-[[(2-oxo-1H-indol-3-ylidene)hydrazinylidene]methyl]phenyl]acetamide
CID 135500421
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135674247
(3Z)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135763283
3-[(9-methylpyrido[3,4-b]indol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
CID 175422623
(3E)-5-bromo-3-[(3,4-dichlorophenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 136663417
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one (CID 135676256) is (3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=N\N=C\c1ccc2ncccc2c1.
What is the InChIKey of (3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one?
The InChIKey is FZHJLACXJBMVRQ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H12N4O/c23-18-17(14-5-1-2-6-16(14)21-18)22-20-11-12-7-8-15-13(10-12)4-3-9-19-15/h1-11H,(H,21,22,23)/b20-11+.
What are the key properties of (3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one?
(3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one has a molecular weight of 300.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-quinolin-6-ylmethylidenehydrazinylidene]-1H-indol-2-one is sourced from PubChem (CID 135676256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).