7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol

C18H14ClN3O2 — CID 135423804

IUPAC7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol
SMILESCO/N=C1/C(c2c(O)n(C)c3c(Cl)cccc23)=Nc2ccccc21
InChIInChI=1S/C18H14ClN3O2/c1-22-17-11(7-5-8-12(17)19)14(18(22)23)16-15(21-24-2)10-6-3-4-9-13(10)20-16/h3-9,23H,1-2H3/b21-15+
InChIKeyZUKUEKIRUBZKRS-RCCKNPSSSA-N
MW339.78 g/mol
LogP4.02
Rot. Bonds2

About 7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol

7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol (PubChem CID 135423804) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol.

Molecular Properties

Compound Name7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol
PubChem CID135423804
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol
SMILESCO/N=C1/C(c2c(O)n(C)c3c(Cl)cccc23)=Nc2ccccc21
InChIInChI=1S/C18H14ClN3O2/c1-22-17-11(7-5-8-12(17)19)14(18(22)23)16-15(21-24-2)10-6-3-4-9-13(10)20-16/h3-9,23H,1-2H3/b21-15+
InChIKeyZUKUEKIRUBZKRS-RCCKNPSSSA-N
XLogP4.02
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol?
The IUPAC name of 7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol (CID 135423804) is 7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol.
What is the SMILES notation for 7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol?
The canonical SMILES for 7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol is CO/N=C1/C(c2c(O)n(C)c3c(Cl)cccc23)=Nc2ccccc21.
What is the InChIKey of 7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol?
The InChIKey is ZUKUEKIRUBZKRS-RCCKNPSSSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-22-17-11(7-5-8-12(17)19)14(18(22)23)16-15(21-24-2)10-6-3-4-9-13(10)20-16/h3-9,23H,1-2H3/b21-15+.
What are the key properties of 7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol?
7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol has a molecular weight of 339.78 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(3E)-3-methoxyiminoindol-2-yl]-1-methylindol-2-ol is sourced from PubChem (CID 135423804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).