6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine

C18H17N3O2 — CID 24810637

IUPAC6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine
SMILESCOc1ccc(/C=N/Nc2ccnc3ccc(OC)cc23)cc1
InChIInChI=1S/C18H17N3O2/c1-22-14-5-3-13(4-6-14)12-20-21-18-9-10-19-17-8-7-15(23-2)11-16(17)18/h3-12H,1-2H3,(H,19,21)/b20-12+
InChIKeyDYIMJBKFNINWEL-UDWIEESQSA-N
MW307.35 g/mol
LogP3.70
Rot. Bonds5

About 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine

6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine (PubChem CID 24810637) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine
PubChem CID24810637
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine
SMILESCOc1ccc(/C=N/Nc2ccnc3ccc(OC)cc23)cc1
InChIInChI=1S/C18H17N3O2/c1-22-14-5-3-13(4-6-14)12-20-21-18-9-10-19-17-8-7-15(23-2)11-16(17)18/h3-12H,1-2H3,(H,19,21)/b20-12+
InChIKeyDYIMJBKFNINWEL-UDWIEESQSA-N
XLogP3.70
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine 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 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine?
The IUPAC name of 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine (CID 24810637) is 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine is COc1ccc(/C=N/Nc2ccnc3ccc(OC)cc23)cc1.
What is the InChIKey of 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine?
The InChIKey is DYIMJBKFNINWEL-UDWIEESQSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-14-5-3-13(4-6-14)12-20-21-18-9-10-19-17-8-7-15(23-2)11-16(17)18/h3-12H,1-2H3,(H,19,21)/b20-12+.
What are the key properties of 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine?
6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine has a molecular weight of 307.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 24810637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).