N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine

C20H18ClF4N3O4 — CID 122485483

IUPACN-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine
SMILESFC(F)OCCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCOC(F)F
InChIInChI=1S/C20H18ClF4N3O4/c21-12-2-1-3-13(8-12)28-18-14-9-16(29-4-6-31-19(22)23)17(10-15(14)26-11-27-18)30-5-7-32-20(24)25/h1-3,8-11,19-20H,4-7H2,(H,26,27,28)
InChIKeyILZJKNLQGQSUCK-UHFFFAOYSA-N
MW475.83 g/mol
LogP5.26
Rot. Bonds12

About N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine

N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine (PubChem CID 122485483) has the molecular formula C20H18ClF4N3O4 and a molecular weight of 475.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine
PubChem CID122485483
Molecular FormulaC20H18ClF4N3O4
Molecular Weight475.83 g/mol
Exact Mass475.09
IUPAC NameN-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine
SMILESFC(F)OCCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCOC(F)F
InChIInChI=1S/C20H18ClF4N3O4/c21-12-2-1-3-13(8-12)28-18-14-9-16(29-4-6-31-19(22)23)17(10-15(14)26-11-27-18)30-5-7-32-20(24)25/h1-3,8-11,19-20H,4-7H2,(H,26,27,28)
InChIKeyILZJKNLQGQSUCK-UHFFFAOYSA-N
XLogP5.26
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.83
LogP ≤ 55.26
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

6,7-bis[2-(difluoromethoxy)ethoxy]-N-(3-ethynylphenyl)quinazolin-4-amine
CID 122446160
4-(3-chloro-4-fluoroanilino)-6-[2-(difluoromethoxy)ethoxy]quinazolin-7-ol
CID 137150071
4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide
CID 122195526
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167
5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide
CID 122195527
6,7-bis[2-(difluoromethoxy)ethoxy]-N-(2,6-difluoro-4-methylphenyl)quinazolin-4-amine
CID 134271519
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
4-N-(3-chloro-2-fluorophenyl)-7-[2-(difluoromethoxy)ethoxy]-6-N-methoxyquinazoline-4,6-diamine
CID 145347225
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
N-(3-tert-butylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;ethane
CID 142379522

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine (CID 122485483) is N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine is FC(F)OCCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCCOC(F)F.
What is the InChIKey of N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine?
The InChIKey is ILZJKNLQGQSUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF4N3O4/c21-12-2-1-3-13(8-12)28-18-14-9-16(29-4-6-31-19(22)23)17(10-15(14)26-11-27-18)30-5-7-32-20(24)25/h1-3,8-11,19-20H,4-7H2,(H,26,27,28).
What are the key properties of N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine?
N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine has a molecular weight of 475.83 g/mol, XLogP of 5.26, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6,7-bis[2-(difluoromethoxy)ethoxy]quinazolin-4-amine is sourced from PubChem (CID 122485483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).