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'}

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Related Compounds

2,2,4-trimethyl-6-[3-[(2,2,4-trimethyl-1H-quinolin-6-yl)oxy]-2,2-bis[(2,2,4-trimethyl-1H-quinolin-6-yl)oxymethyl]propoxy]-1H-quinoline
CID 70527981
6-ethoxy-2,2,4-trimethyl-1H-quinoline;oxoiron
CID 67924358
2,2,4-trimethyl-6-(1,1,2,2,2-pentadeuterioethoxy)-1H-quinoline;hydrochloride
CID 167531367
(2,2,4-trimethyl-1H-quinolin-6-yl) 2-phenoxyacetate
CID 698304
3-methoxy-4-[5-[2-(2-methoxyphenyl)ethyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenol
CID 58506236
2-tert-butyl-4-methoxyphenol;6-ethoxy-2,2,4-trimethyl-1H-quinoline
CID 174821422
6-ethoxy-2,2,4-trimethyl-1H-quinoline;tridecan-1-ol
CID 174453090
6-(4-fluoro-2-methoxyphenyl)-5-[(4-fluorophenoxy)methyl]-2,2,4-trimethyl-1H-quinoline;6-(4-fluoro-2-methoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-2,2,4-trimethyl-1H-quinoline
CID 160908784
7-methoxy-2,2,4-trimethyl-1H-quinoline
CID 643478
6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline
CID 58026975
1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
CID 54940328
6-ethoxy-2,2,4-trimethyl-1H-quinoline;phenoxymethyl prop-2-enoate
CID 174899316

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).