6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline

C20H23NO2 — CID 45484204

IUPAC6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline
SMILESCOc1ccccc1COc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C20H23NO2/c1-14-12-20(2,3)21-18-10-9-16(11-17(14)18)23-13-15-7-5-6-8-19(15)22-4/h5-12,21H,13H2,1-4H3
InChIKeyLRKDQQGYCQHWHH-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.88
Rot. Bonds4

About 6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline

6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline (PubChem CID 45484204) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline
PubChem CID45484204
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline
SMILESCOc1ccccc1COc1ccc2c(c1)C(C)=CC(C)(C)N2
InChIInChI=1S/C20H23NO2/c1-14-12-20(2,3)21-18-10-9-16(11-17(14)18)23-13-15-7-5-6-8-19(15)22-4/h5-12,21H,13H2,1-4H3
InChIKeyLRKDQQGYCQHWHH-UHFFFAOYSA-N
XLogP4.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline 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-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline (CID 45484204) is 6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline is COc1ccccc1COc1ccc2c(c1)C(C)=CC(C)(C)N2.
What is the InChIKey of 6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline?
The InChIKey is LRKDQQGYCQHWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-14-12-20(2,3)21-18-10-9-16(11-17(14)18)23-13-15-7-5-6-8-19(15)22-4/h5-12,21H,13H2,1-4H3.
What are the key properties of 6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline?
6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline has a molecular weight of 309.41 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methoxy]-2,2,4-trimethyl-1H-quinoline is sourced from PubChem (CID 45484204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).