2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide

C25H21F3N4O4 — CID 163360022

IUPAC2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(Nc2ncnc3cc(OC)c(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc23)c1
InChIInChI=1S/C25H21F3N4O4/c1-34-18-5-3-4-17(10-18)32-24-19-11-22(21(35-2)12-20(19)29-14-30-24)36-13-23(33)31-16-8-6-15(7-9-16)25(26,27)28/h3-12,14H,13H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyRWMFPSUFSKLFIB-UHFFFAOYSA-N
MW498.46 g/mol
LogP5.43
Rot. Bonds8

About 2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide

2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 163360022) has the molecular formula C25H21F3N4O4 and a molecular weight of 498.46 g/mol. Its IUPAC name is 2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID163360022
Molecular FormulaC25H21F3N4O4
Molecular Weight498.46 g/mol
Exact Mass498.15
IUPAC Name2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(Nc2ncnc3cc(OC)c(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc23)c1
InChIInChI=1S/C25H21F3N4O4/c1-34-18-5-3-4-17(10-18)32-24-19-11-22(21(35-2)12-20(19)29-14-30-24)36-13-23(33)31-16-8-6-15(7-9-16)25(26,27)28/h3-12,14H,13H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyRWMFPSUFSKLFIB-UHFFFAOYSA-N
XLogP5.43
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.46
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 163359995
6-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-(4-fluorophenyl)naphthalene-1-carboxamide
CID 59813851
1-(4-bromophenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
CID 44569335
4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 91576976
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
1-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]-3-(3-methoxyphenyl)urea
CID 11684784
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
5-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-(4-sulfamoylphenyl)pentanamide
CID 164622206
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578

Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide (CID 163360022) is 2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide is COc1cccc(Nc2ncnc3cc(OC)c(OCC(=O)Nc4ccc(C(F)(F)F)cc4)cc23)c1.
What is the InChIKey of 2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RWMFPSUFSKLFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O4/c1-34-18-5-3-4-17(10-18)32-24-19-11-22(21(35-2)12-20(19)29-14-30-24)36-13-23(33)31-16-8-6-15(7-9-16)25(26,27)28/h3-12,14H,13H2,1-2H3,(H,31,33)(H,29,30,32).
What are the key properties of 2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 498.46 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-4-(3-methoxyanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 163360022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).