4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline

C16H14ClN3O — CID 135937353

IUPAC4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline
SMILESCOc1ccc2[nH]cc(/C=N\Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H14ClN3O/c1-21-14-6-7-16-15(8-14)11(9-18-16)10-19-20-13-4-2-12(17)3-5-13/h2-10,18,20H,1H3/b19-10-
InChIKeyORFNXVCYLXWOOJ-GRSHGNNSSA-N
MW299.76 g/mol
LogP4.28
Rot. Bonds4

About 4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline

4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline (PubChem CID 135937353) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound Name4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline
PubChem CID135937353
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline
SMILESCOc1ccc2[nH]cc(/C=N\Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C16H14ClN3O/c1-21-14-6-7-16-15(8-14)11(9-18-16)10-19-20-13-4-2-12(17)3-5-13/h2-10,18,20H,1H3/b19-10-
InChIKeyORFNXVCYLXWOOJ-GRSHGNNSSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline?
The IUPAC name of 4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline (CID 135937353) is 4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline.
What is the SMILES notation for 4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline?
The canonical SMILES for 4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline is COc1ccc2[nH]cc(/C=N\Nc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline?
The InChIKey is ORFNXVCYLXWOOJ-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-21-14-6-7-16-15(8-14)11(9-18-16)10-19-20-13-4-2-12(17)3-5-13/h2-10,18,20H,1H3/b19-10-.
What are the key properties of 4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline?
4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline has a molecular weight of 299.76 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 135937353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).