6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine

C21H19F6N3O4 — CID 134271519

IUPAC6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine
SMILESCc1cc(F)c(Nc2ncnc3cc(OCCOC(F)F)c(OCCOC(F)F)cc23)c(F)c1
InChIInChI=1S/C21H19F6N3O4/c1-11-6-13(22)18(14(23)7-11)30-19-12-8-16(31-2-4-33-20(24)25)17(9-15(12)28-10-29-19)32-3-5-34-21(26)27/h6-10,20-21H,2-5H2,1H3,(H,28,29,30)
InChIKeyQUTYIKDENAIYBS-UHFFFAOYSA-N
MW491.39 g/mol
LogP5.20
Rot. Bonds12

About 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine

6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine (PubChem CID 134271519) has the molecular formula C21H19F6N3O4 and a molecular weight of 491.39 g/mol. Its IUPAC name is 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine
PubChem CID134271519
Molecular FormulaC21H19F6N3O4
Molecular Weight491.39 g/mol
Exact Mass491.13
IUPAC Name6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine
SMILESCc1cc(F)c(Nc2ncnc3cc(OCCOC(F)F)c(OCCOC(F)F)cc23)c(F)c1
InChIInChI=1S/C21H19F6N3O4/c1-11-6-13(22)18(14(23)7-11)30-19-12-8-16(31-2-4-33-20(24)25)17(9-15(12)28-10-29-19)32-3-5-34-21(26)27/h6-10,20-21H,2-5H2,1H3,(H,28,29,30)
InChIKeyQUTYIKDENAIYBS-UHFFFAOYSA-N
XLogP5.20
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.39
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine
CID 122485483
4-(3-chloro-4-fluoroanilino)-6-[2-(difluoromethoxy)ethoxy]quinazolin-7-ol
CID 137150071
6,7-bis[2-(difluoromethoxy)ethoxy]-N-(3-ethynylphenyl)quinazolin-4-amine
CID 122446160
4-N-(3-chloro-2-fluorophenyl)-7-[2-(difluoromethoxy)ethoxy]-6-N-methoxyquinazoline-4,6-diamine
CID 145347225
N-(4-bromo-2,6-difluorophenyl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 21260290
4-fluoro-3-[[7-[2-(2-hydroxyethylamino)ethoxy]-6-methoxyquinazolin-4-yl]amino]-2-methylphenol
CID 118112124
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
CID 130310905
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
N-[2-[6-amino-4-(4-bromo-2,6-difluoroanilino)quinazolin-7-yl]oxyethyl]acetamide
CID 69100418

Frequently Asked Questions

What is the IUPAC name of 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine (CID 134271519) is 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine is Cc1cc(F)c(Nc2ncnc3cc(OCCOC(F)F)c(OCCOC(F)F)cc23)c(F)c1.
What is the InChIKey of 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine?
The InChIKey is QUTYIKDENAIYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F6N3O4/c1-11-6-13(22)18(14(23)7-11)30-19-12-8-16(31-2-4-33-20(24)25)17(9-15(12)28-10-29-19)32-3-5-34-21(26)27/h6-10,20-21H,2-5H2,1H3,(H,28,29,30).
What are the key properties of 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine?
6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine has a molecular weight of 491.39 g/mol, XLogP of 5.20, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 134271519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).