7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline

C20H21F3N2O2 — CID 146295310

IUPAC7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline
SMILESCOCCN1C=c2ccc(-c3cc(F)cc(OC(F)F)c3)cc2=NC1(C)C
InChIInChI=1S/C20H21F3N2O2/c1-20(2)24-18-10-13(4-5-14(18)12-25(20)6-7-26-3)15-8-16(21)11-17(9-15)27-19(22)23/h4-5,8-12,19H,6-7H2,1-3H3
InChIKeyWUBKYMZPXNYQHH-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.15
Rot. Bonds6

About 7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline

7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline (PubChem CID 146295310) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline.

Molecular Properties

Compound Name7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline
PubChem CID146295310
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline
SMILESCOCCN1C=c2ccc(-c3cc(F)cc(OC(F)F)c3)cc2=NC1(C)C
InChIInChI=1S/C20H21F3N2O2/c1-20(2)24-18-10-13(4-5-14(18)12-25(20)6-7-26-3)15-8-16(21)11-17(9-15)27-19(22)23/h4-5,8-12,19H,6-7H2,1-3H3
InChIKeyWUBKYMZPXNYQHH-UHFFFAOYSA-N
XLogP3.15
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(difluoromethoxy)-5-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 134629986
3-(3,5-difluorophenyl)-1-(2-methoxyethyl)pyrrole
CID 141352906
N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]-4-fluorobenzenesulfonamide
CID 166453085
4-bromo-N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]benzenesulfonamide
CID 166453065
[4-(3-fluoro-5-methoxyphenyl)phenyl]methanol
CID 170385205
3-tert-butyl-N-[5-[3-(difluoromethoxy)-5-fluorophenyl]-2-fluorophenyl]benzenesulfonamide
CID 166453096
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443511
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[2-(4-fluorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 2443513
1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene
CID 67799012
5-[[3-(difluoromethoxy)-5-fluorophenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599008
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-[4-(2-methoxyethyl)phenyl]naphthalene
CID 139874733
5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole
CID 175809954

Frequently Asked Questions

What is the IUPAC name of 7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline?
The IUPAC name of 7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline (CID 146295310) is 7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline.
What is the SMILES notation for 7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline?
The canonical SMILES for 7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline is COCCN1C=c2ccc(-c3cc(F)cc(OC(F)F)c3)cc2=NC1(C)C.
What is the InChIKey of 7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline?
The InChIKey is WUBKYMZPXNYQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-20(2)24-18-10-13(4-5-14(18)12-25(20)6-7-26-3)15-8-16(21)11-17(9-15)27-19(22)23/h4-5,8-12,19H,6-7H2,1-3H3.
What are the key properties of 7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline?
7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline has a molecular weight of 378.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(difluoromethoxy)-5-fluorophenyl]-3-(2-methoxyethyl)-2,2-dimethylquinazoline is sourced from PubChem (CID 146295310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).