2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline

C20H20N2O — CID 92529957

IUPAC2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
SMILESCOc1cc(/C=C\c2ccnc3ccccc23)ccc1N(C)C
InChIInChI=1S/C20H20N2O/c1-22(2)19-11-9-15(14-20(19)23-3)8-10-16-12-13-21-18-7-5-4-6-17(16)18/h4-14H,1-3H3/b10-8-
InChIKeyXRJTZHYLYFIJKG-NTMALXAHSA-N
MW304.39 g/mol
LogP4.48
Rot. Bonds4

About 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline

2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline (PubChem CID 92529957) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
PubChem CID92529957
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
SMILESCOc1cc(/C=C\c2ccnc3ccccc23)ccc1N(C)C
InChIInChI=1S/C20H20N2O/c1-22(2)19-11-9-15(14-20(19)23-3)8-10-16-12-13-21-18-7-5-4-6-17(16)18/h4-14H,1-3H3/b10-8-
InChIKeyXRJTZHYLYFIJKG-NTMALXAHSA-N
XLogP4.48
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline 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 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline?
The IUPAC name of 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline (CID 92529957) is 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline?
The canonical SMILES for 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline is COc1cc(/C=C\c2ccnc3ccccc23)ccc1N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline?
The InChIKey is XRJTZHYLYFIJKG-NTMALXAHSA-N. The full InChI is InChI=1S/C20H20N2O/c1-22(2)19-11-9-15(14-20(19)23-3)8-10-16-12-13-21-18-7-5-4-6-17(16)18/h4-14H,1-3H3/b10-8-.
What are the key properties of 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline?
2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline has a molecular weight of 304.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline is sourced from PubChem (CID 92529957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).